4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 4-methyl-1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 4-methyl-1-benzenesulfonate
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0310 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-methoxyphenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C27 H21 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.12 |
| logD: | 6.11 |
| logSw: | -6.97 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.18 |
| InChI Key: | BJDDHCNGJNOXJY-UHFFFAOYSA-N |