4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 2-nitro-1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 2-nitro-1-benzenesulfonate
4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 2-nitro-1-benzenesulfonate
Compound characteristics
| Compound ID: | 4384-0314 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propenyl}-2-ethoxyphenyl 2-nitro-1-benzenesulfonate |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C27 H20 N4 O7 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(cs2)c2ccccc2)=O)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 5.35 |
| logSw: | -6.03 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 253.21 |
| InChI Key: | MQLNQROJUQZCBP-UHFFFAOYSA-N |