4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C356-1318 |
| Compound Name: | 4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C21 H18 N4 O5 S3 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)OC(c2cccs2)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 2.31 |
| logSw: | -5.78 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 240.17 |
| InChI Key: | KXWARZQSPWOEFJ-UHFFFAOYSA-N |