3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3,5-difluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3,5-difluorophenyl)methyl]propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3,5-difluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | V002-5029 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-[(3,5-difluorophenyl)methyl]propanamide |
| Molecular Weight: | 483.56 |
| Molecular Formula: | C30 H27 F2 N3 O |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(NCc2cc(cc(c2)F)F)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1542 |
| logD: | 6.1542 |
| logSw: | -5.4107 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.087 |
| InChI Key: | OSSFORKDDFKKMY-UHFFFAOYSA-N |