Molecular Properties | |
SMILES: | O=C(NCCN1CCN(c2ccccc2)CC1)NCc1ccccn1 |
MW: | 339.443 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 60.5 |
cLogP: | 1.703 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z432464280 |
Enamine Extended REAL: | s_2708____905600____914814 |
MolPort: | MolPort-047-311-287 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-27 |
Long aliphatic chain
AAR-POS-d2a4d1df-11
TRI-UNI-97428359-2
0.775
TRI-UNI-97428359-3
0.743
DRR-IMP-38dce17f-5
0.351
LON-WEI-4d77710c-49
0.344
LON-WEI-5e7d1b3e-49
0.344
JUL-TUD-06b2044f-155
0.333
STE-KUL-2e0d2e88-1
0.325
AAR-UNI-c25c2f1e-54
0.322
AAR-UNI-c25c2f1e-98
0.312
MAR-SOS-c7881798-6
0.307
MAR-SOS-82e3a7c7-6
0.307
CAT-CEN-91a3f3b0-1
0.305
ANT-DIA-045cfdc4-4
0.304
DAN-MCD-8aee1169-1
0.304
DAN-MCD-52f1549c-1
0.304
SAD-SAT-5b1897b2-3
0.304
MAR-TRE-d0525fbf-96
0.299
MAR-TRE-3159af1a-20
0.297
MAR-SOS-82e3a7c7-8
0.296
MAR-SOS-c7881798-5
0.296
MAR-SOS-c7881798-8
0.295
MAR-SOS-82e3a7c7-7
0.295
STE-KUL-2e0d2e88-2
0.293
STE-KUL-2e0d2e88-3
0.292
MAR-UCB-f313ec4d-6
0.292
MAR-TRE-e86a56b5-33
0.287
SEL-UNI-8426c22c-4
0.286
MAR-TRE-fd17a9b8-70
0.277
MAR-TRE-fd17a9b8-31
0.273
DAN-MCD-cb24a79d-1
0.272
JON-UIO-066ce08b-3
0.272
MAR-TRE-b77b7921-69
0.269
IAN-BAS-36ca50f1-1
0.269
SIM-DEM-2843056b-3
0.267
MAT-POS-2492181e-2
0.266
MAT-POS-ea426761-76
0.265
AAR-UNI-c25c2f1e-49
0.265
SIM-DEM-2843056b-7
0.262
EDJ-MED-f073a5ff-3
0.262
MAR-SOS-82e3a7c7-3
0.260
MAR-SOS-c7881798-12
0.260
AAR-UNI-c25c2f1e-59
0.257
BAR-COM-4e090d3a-54
0.257
BRU-UNI-418e22dc-7
0.257
AAR-POS-0daf6b7e-18
0.256
ROD-UFR-87309d29-1
0.255
MAR-TRE-b77b7921-1
0.255
MAR-TRE-6a44bbf2-44
0.253
EDJ-MED-78f964c8-1
0.253
MAT-POS-916a2c5a-4
0.253
UNK-UNK-2ede4078-12
0.253
MAR-TRE-f6f5f473-94
0.253
SAD-SAT-f0a2747f-4
0.250
MAR-TRE-67513f76-19
0.250
MAT-POS-b5746674-68
0.248
SIM-DEM-2843056b-6
0.248
SIM-DEM-2843056b-1
0.248
MAR-TRE-c8530538-79
0.248
BAR-COM-0f94fc3d-33
0.245
MAK-UNK-15efde89-1
0.244
BAR-COM-4e090d3a-58
0.242
NIM-UNI-ed9fc491-2
0.242
RIC-ARG-a8e88843-1
0.242
BEN-DND-93268d01-4
0.242
MAK-UNK-af83ef51-1
0.242
SAD-SAT-5b1897b2-1
0.241
AAR-UNI-c25c2f1e-25
0.240
BAR-COM-4e090d3a-60
0.240
MAR-TRE-f6f5f473-90
0.240
BEN-DND-1e24cf73-3
0.240
MED-COV-4280ac29-25
0.240
MAR-TRE-6a44bbf2-70
0.239
MAK-UNK-a7992eb3-9
0.239
LON-WEI-5e7d1b3e-16
0.238
MAT-POS-2492181e-11
0.238
BAR-COM-4e090d3a-17
0.238
MAR-TRE-b77b7921-100
0.238
MAT-POS-b5746674-109
0.238
LON-WEI-4d77710c-16
0.238
AAR-UNI-c25c2f1e-43
0.238
MAR-TRE-c8530538-47
0.238
MAK-UNK-7c9d1431-24
0.237
MAR-TRE-6a44bbf2-87
0.237
DRR-IMP-38dce17f-3
0.237
VIK-SYN-bf9c9ac8-7
0.237
VIK-SYN-9a3d118a-4
0.237
AAR-POS-0daf6b7e-22
0.237
MAR-TRE-7f7bb9f0-71
0.236
MAR-TRE-3e4e6814-25
0.236
MAR-LAB-ca4662a6-5
0.236
NIM-UNI-310206f0-22
0.236
NIM-UNI-310206f0-24
0.236
MAR-SOS-82e3a7c7-2
0.236
MAR-SOS-c7881798-3
0.236
MAK-UNK-a7992eb3-8
0.235
UNK-UNK-2ede4078-53
0.235
MAT-POS-162a9720-4
0.235
STE-KUL-2e0d2e88-7
0.234
MAR-TRE-fd17a9b8-68
0.234
NIM-UNI-310206f0-43
0.234