2-chloro-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methoxy-1-benzenesulfonate
Chemical Structure Depiction of
2-chloro-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methoxy-1-benzenesulfonate
2-chloro-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methoxy-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0598 |
| Compound Name: | 2-chloro-4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-6-methoxyphenyl 4-methoxy-1-benzenesulfonate |
| Molecular Weight: | 582.05 |
| Molecular Formula: | C27 H20 Cl N3 O6 S2 |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1c(cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 6.61 |
| logD: | 6.59 |
| logSw: | -7.59 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.48 |
| InChI Key: | VCMNQTOZIBFUHG-UHFFFAOYSA-N |