Molecular Properties | |
SMILES: | NCc1cn(CC(=O)N(Cc2ccsc2)c2ccc(N3CCOCC3)cc2)nn1 |
MW: | 412.17 |
Fraction sp3: | 0.35 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 89.51 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-05-26 |
Synthesis Location: | sai |
Shipped: | 2020-07-14 |
N,N-Dialkyl aniline derivatives (2)
AAR-POS-d2a4d1df-1
ALP-POS-c0c213c9-11
0.678
ALP-POS-c0c213c9-5
0.644
ALP-POS-6d04362c-4
0.611
ALP-POS-8ed8d9ec-12
0.524
ALP-POS-6d04362c-3
0.485
ALP-POS-6d04362c-5
0.437
RAL-THA-d07c7800-2
0.426
CHO-MSK-00c5269a-4
0.422
RAL-THA-d07c7800-3
0.416
ALP-POS-bad7201a-5
0.413
ALP-POS-bad7201a-6
0.411
PET-UNK-b75fdf9f-1
0.406
ALP-POS-c0c213c9-6
0.406
ALP-POS-c59291d4-4
0.404
ALP-POS-c0c213c9-4
0.400
ALP-POS-d2866bdf-1
0.398
RUT-UNI-630c5802-24
0.393
RAL-THA-4a5dabff-1
0.390
PET-UNK-b75fdf9f-3
0.388
ALP-POS-c59291d4-1
0.387
MAK-UNK-b7886382-2
0.386
RUT-UNI-630c5802-27
0.385
ALP-POS-bad7201a-1
0.385
PET-UNK-1901c25b-2
0.383
ROB-IMP-e811baff-1
0.382
ALP-POS-c59291d4-3
0.381
RUT-UNI-630c5802-26
0.380
ALP-POS-c59291d4-2
0.378
ALP-POS-c0c213c9-16
0.377
ALP-POS-8ed8d9ec-6
0.376
ALP-POS-c0c213c9-7
0.370
RUT-UNI-630c5802-1
0.365
PET-UNK-7374c256-1
0.358
ALP-POS-8ed8d9ec-7
0.358
RUT-UNI-630c5802-25
0.358
RAL-THA-4a5dabff-2
0.358
ALP-POS-a3de0cb1-11
0.353
RAL-THA-d07c7800-6
0.352
ALP-POS-8ed8d9ec-10
0.348
RAL-THA-d07c7800-5
0.348
MAT-POS-ffe83904-1
0.347
RAL-THA-4a5dabff-3
0.346
DAR-DIA-093892e4-11
0.342
RAL-THA-d07c7800-1
0.342
ALP-POS-7c842ab8-1
0.330
PET-UNK-b75fdf9f-2
0.330
JAR-KUA-672ec752-7
0.330
RAL-THA-d07c7800-4
0.328
CHO-MSK-00c5269a-5
0.325
RAL-THA-4a5dabff-8
0.325
PET-UNK-55f647aa-3
0.324
UNK-UNK-2ede4078-44
0.321
RUT-UNI-630c5802-3
0.313
ALP-POS-a3de0cb1-9
0.307
ALP-POS-8ed8d9ec-13
0.307
RUT-UNI-630c5802-21
0.304
ALP-POS-bad7201a-9
0.304
HOL-KAN-828c7b64-1
0.298
DAR-DIA-093892e4-9
0.297
RUT-UNI-630c5802-2
0.296
PET-UNK-1901c25b-1
0.295
ALP-POS-7c842ab8-2
0.294
RUT-UNI-630c5802-20
0.292
RUT-UNI-630c5802-4
0.291
ALP-POS-bad7201a-12
0.287
RUT-UNI-630c5802-17
0.286
RUT-UNI-630c5802-18
0.286
PET-UNK-55f647aa-2
0.284
RUT-UNI-630c5802-23
0.282
DAR-DIA-093892e4-10
0.281
ALP-POS-a3de0cb1-4
0.279
NIR-WEI-75ed5c39-1
0.276
RUT-UNI-630c5802-22
0.276
MAD-UNK-84a4f939-1
0.274
MAD-UNK-b1ea4171-1
0.274
RUT-UNI-630c5802-19
0.272
ALP-POS-bad7201a-2
0.270
NAU-LAT-a5c7d7cb-4
0.265
CHO-MSK-00c5269a-2
0.263
ALP-POS-c0c213c9-18
0.263
RAL-THA-4a5dabff-5
0.256
ALP-POS-8ed8d9ec-9
0.256
DAR-DIA-093892e4-7
0.254
RUT-UNI-630c5802-5
0.254
ALP-POS-6d04362c-1
0.252
ALP-POS-87c86d55-1
0.252
OLG-UNK-911c2067-1
0.250
MAR-TRE-9c797165-69
0.250
RUT-UNI-630c5802-9
0.250
PET-UNK-55f647aa-1
0.250
DAR-DIA-093892e4-4
0.248
DAR-DIA-093892e4-12
0.248
CHO-MSK-00c5269a-1
0.248
ALP-POS-bad7201a-15
0.248
CHO-MSK-00c5269a-3
0.248
ALP-POS-6d04362c-2
0.248
MAR-TRE-9c797165-58
0.248
MAK-UNK-5e88aa6a-6
0.248
MAK-UNK-1cb0e944-1
0.248
ALP-POS-bad7201a-14
0.246