ethyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
ethyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V031-0812 |
| Compound Name: | ethyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C31 H35 N3 O3 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1265 |
| logD: | 5.1265 |
| logSw: | -4.8716 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.762 |
| InChI Key: | UCHVHMWJNZBKMZ-UHFFFAOYSA-N |