3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(2-methylpropyl)propanamide
3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | V009-6843 |
| Compound Name: | 3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C27 H31 N3 O |
| Smiles: | CC(C)CNC(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1113 |
| logD: | 5.1113 |
| logSw: | -4.8333 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.359 |
| InChI Key: | AKCUZCOEMSDZIR-UHFFFAOYSA-N |