ethyl 4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazine-1-carboxylate
ethyl 4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V008-4114 |
| Compound Name: | ethyl 4-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperazine-1-carboxylate |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C30 H34 N4 O3 |
| Smiles: | CCOC(N1CCN(CC1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7517 |
| logD: | 4.7517 |
| logSw: | -4.3534 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.788 |
| InChI Key: | YWSVEMJTVDDGFB-UHFFFAOYSA-N |