4-cyano-N-[(4-methylphenyl)methyl]-N-(3-{2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}phenyl)benzamide
Chemical Structure Depiction of
4-cyano-N-[(4-methylphenyl)methyl]-N-(3-{2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}phenyl)benzamide
4-cyano-N-[(4-methylphenyl)methyl]-N-(3-{2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V012-0949 |
| Compound Name: | 4-cyano-N-[(4-methylphenyl)methyl]-N-(3-{2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}phenyl)benzamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C27 H25 N3 O2 |
| Smiles: | Cc1ccc(CN(C(c2ccc(C#N)cc2)=O)c2cccc(CC(NCC=C)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9517 |
| logD: | 3.9517 |
| logSw: | -4.007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.959 |
| InChI Key: | GZFULKNDYOYFQP-UHFFFAOYSA-N |