N-[1-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-3-(2-chlorophenyl)-2-cyano-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Chemical Structure Depiction of
N-[1-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-3-(2-chlorophenyl)-2-cyano-5-oxo-5-phenylpent-1-en-1-yl]benzamide
N-[1-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-3-(2-chlorophenyl)-2-cyano-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Compound characteristics
| Compound ID: | 8011-7469 |
| Compound Name: | N-[1-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-3-(2-chlorophenyl)-2-cyano-5-oxo-5-phenylpent-1-en-1-yl]benzamide |
| Molecular Weight: | 628.58 |
| Molecular Formula: | C34 H27 Cl2 N3 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC(=C(C#N)\C(CC(c1ccccc1)=O)c1ccccc1[Cl])\NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2181 |
| logD: | 7.0938 |
| logSw: | -6.3103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.32 |
| InChI Key: | MNOMODRZGFJBJV-USBPOQAUSA-N |