methyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
methyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V008-4092 |
| Compound Name: | methyl 1-(3-{1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-2-yl}propanoyl)piperidine-4-carboxylate |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C30 H33 N3 O3 |
| Smiles: | Cc1ccc(c(C)c1)c1ccc(CCC(N2CCC(CC2)C(=O)OC)=O)n1c1ccc(CC#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5579 |
| logD: | 4.5579 |
| logSw: | -4.3146 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.182 |
| InChI Key: | GJZNLGAFMFKSMI-UHFFFAOYSA-N |