N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Chemical Structure Depiction of
N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Compound characteristics
| Compound ID: | 8011-7466 |
| Compound Name: | N-[3-(2-chlorophenyl)-2-cyano-1-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide |
| Molecular Weight: | 608.16 |
| Molecular Formula: | C35 H30 Cl N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC(=C(C#N)\C(CC(c1ccccc1)=O)c1ccccc1[Cl])\NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8934 |
| logD: | 6.769 |
| logSw: | -6.2696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.32 |
| InChI Key: | VVFHERLXPOSIID-BNRUPHNUSA-N |