N-benzyl-N-butyl-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Chemical Structure Depiction of
N-benzyl-N-butyl-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
N-benzyl-N-butyl-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide
Compound characteristics
| Compound ID: | V010-2192 |
| Compound Name: | N-benzyl-N-butyl-3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanamide |
| Molecular Weight: | 503.69 |
| Molecular Formula: | C34 H37 N3 O |
| Smiles: | CCCCN(Cc1ccccc1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2267 |
| logD: | 7.2267 |
| logSw: | -5.6351 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.549 |
| InChI Key: | NSBMUYGFLOGZID-UHFFFAOYSA-N |