Molecular Properties | |
SMILES: | Cc1[nH]c2ccccc2c1/C=N/N(C)C(=O)c1ccc2c(c1)OCO2 |
MW: | 335.13 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 66.92 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-06 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
imine
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Imines
acyl hydrazine
RED-RED-10c9212c-56
0.340
JOH-IMS-0f19a540-12
0.326
JOH-IMS-0f19a540-13
0.319
JOH-IMS-0f19a540-7
0.315
ROD-LAS-d5538ff9-6
0.298
AAR-POS-0daf6b7e-43
0.295
CHR-UNL-7577488f-1
0.292
JON-UNI-93996c9d-5
0.287
JOH-IMS-7e73aedd-8
0.284
JOH-IMS-0f19a540-2
0.284
MAR-TRE-8a25d817-17
0.281
AAR-POS-d2a4d1df-31
0.281
JOH-IMS-7e73aedd-9
0.280
JOH-IMS-0f19a540-3
0.280
MAR-TRE-aca67d11-9
0.278
JOH-UNI-e19b918c-4
0.278
JAR-KUA-8c13982c-12
0.274
LON-WEI-5e7d1b3e-3
0.266
LON-WEI-4d77710c-3
0.266
MAR-TRE-a3327163-38
0.262
MAR-TRE-92684b97-22
0.261
MAR-TRE-fd17a9b8-13
0.258
ALP-POS-bea7b391-1
0.257
LON-WEI-4d77710c-10
0.254
LON-WEI-5e7d1b3e-10
0.254
JOH-UNI-e19b918c-6
0.252
KRI-MAR-d2e3ef86-14
0.250
LON-WEI-4d77710c-55
0.250
LON-WEI-5e7d1b3e-55
0.250
MAR-TRE-fd17a9b8-77
0.248
MAR-TRE-e86a56b5-54
0.245
JOH-IMS-7e73aedd-2
0.244
JOH-IMS-0f19a540-1
0.241
JOH-IMS-7e73aedd-7
0.241
MAR-TRE-f5c2d31c-59
0.241
JAR-KUA-8c13982c-4
0.241
MAR-TRE-8190bb11-17
0.240
JOH-IMS-0f19a540-14
0.240
MAT-POS-54c4bf04-4
0.239
KRI-MAR-d2e3ef86-7
0.239
ERI-UCB-a0b0dbcb-13
0.237
ERI-UCB-d6de1f3c-8
0.237
VLA-UCB-eb340134-2
0.237
MAT-POS-54c4bf04-1
0.236
BRU-UNI-248b30bc-1
0.236
BEN-DND-7e92b6ca-3
0.236
BEN-DND-7e92b6ca-4
0.235
MAT-POS-916a2c5a-3
0.234
ERI-UCB-a0b0dbcb-4
0.234
KRI-MAR-d2e3ef86-4
0.234
ERI-UCB-a0b0dbcb-12
0.234
JON-UNI-93996c9d-3
0.234
DAR-DIA-8e329c92-9
0.234
ALP-POS-a2344586-2
0.233
ALP-POS-d9b6304e-1
0.233
MAR-TRE-a9136c7b-62
0.233
ALP-POS-75715966-3
0.233
MAT-POS-b5746674-30
0.232
LON-WEI-1908424e-9
0.231
MAR-TRE-4f781e27-53
0.231
MAR-TRE-9d18ae8c-66
0.231
MAR-TRE-d0525fbf-39
0.231
MAR-TRE-fd17a9b8-44
0.230
VLA-UCB-eb340134-1
0.230
BEN-DND-7e92b6ca-15
0.229
BEN-DND-7e92b6ca-2
0.229
ERI-UCB-a0b0dbcb-9
0.229
MAR-TRE-e86a56b5-96
0.229
MAR-LAB-ff9967db-28
0.229
MAT-POS-b5746674-90
0.229
BEN-DND-7e92b6ca-14
0.229
MAR-TRE-a9136c7b-71
0.229
BEN-DND-7e92b6ca-6
0.228
MAK-UNK-7c9d1431-14
0.227
SAD-SAT-2ceae68f-8
0.227
VLA-UCB-50c39ae8-11
0.226
MAT-POS-590ac91e-33
0.226
JAG-UCB-c61058a9-45
0.226
FRA-DIA-e29753f2-1
0.226
NAU-LAT-b7d8c353-3
0.226
JAN-GHE-82a280f8-2
0.226
VLA-UCB-05e51b3f-18
0.226
ERI-UCB-a0b0dbcb-11
0.226
BEN-DND-b89db3f2-1
0.226
BRU-UNI-418e22dc-10
0.224
NJA-MAN-b9fb953f-2
0.224
MAR-TRE-fd17a9b8-7
0.224
MAT-POS-ea426761-95
0.224
YUN-WES-58b0dbae-6
0.224
YUN-WES-85ecc354-1
0.224
MAR-TRE-92684b97-53
0.223
MAR-TRE-d0525fbf-80
0.223
ALP-POS-a2344586-1
0.223
MAR-TRE-d0525fbf-52
0.222
AAR-UNI-c25c2f1e-29
0.222
DAR-DIA-8e329c92-13
0.222
MAR-TRE-2fd8122f-71
0.222
DAV-UNK-07f953a2-3
0.221
LON-WEI-adc59df6-43
0.221
ERI-UCB-a0b0dbcb-14
0.221