N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Chemical Structure Depiction of
N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide
Compound characteristics
| Compound ID: | IB01-8883 |
| Compound Name: | N-[(1Z)-3-(2-chlorophenyl)-2-cyano-1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-5-phenylpent-1-en-1-yl]benzamide |
| Molecular Weight: | 594.13 |
| Molecular Formula: | C34 H28 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSC(=C(C#N)\C(CC(c1ccccc1)=O)c1ccccc1[Cl])\NC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.83 |
| logD: | 6.71 |
| logSw: | -7.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 162.96 |
| InChI Key: | JIWBXEBHBJKNOT-HVWNNATMSA-N |