3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3-methylphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3-methylphenyl)methyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3-methylphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V007-6984 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3-methylphenyl)methyl]propanamide |
| Molecular Weight: | 461.61 |
| Molecular Formula: | C31 H31 N3 O |
| Smiles: | Cc1cccc(CNC(CCc2ccc(c3ccc(C)cc3C)n2c2ccc(CC#N)cc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3097 |
| logD: | 6.3097 |
| logSw: | -5.4288 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.087 |
| InChI Key: | XYYROMPCGBANKU-UHFFFAOYSA-N |