2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methylbenzoate
2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | C356-0375 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methylbenzoate |
| Molecular Weight: | 547.4 |
| Molecular Formula: | C21 H15 Br N4 O5 S2 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.95 |
| logD: | 1.6 |
| logSw: | -4.87 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.79 |
| InChI Key: | LVGPJVXDNMXMFV-UHFFFAOYSA-N |