N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Chemical Structure Depiction of
N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Compound characteristics
| Compound ID: | 8011-7472 |
| Compound Name: | N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide |
| Molecular Weight: | 624.16 |
| Molecular Formula: | C35 H30 Cl N3 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC(=C(C#N)\C(CC(c1ccccc1)=O)c1ccccc1[Cl])\NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7797 |
| logD: | 6.6554 |
| logSw: | -6.276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.142 |
| InChI Key: | JPYXLBMEXJCDOS-FWNOPPMYSA-N |