ethyl 4-({4-cyano-N-[(4-methylphenyl)methyl]benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({4-cyano-N-[(4-methylphenyl)methyl]benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({4-cyano-N-[(4-methylphenyl)methyl]benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0008 |
| Compound Name: | ethyl 4-({4-cyano-N-[(4-methylphenyl)methyl]benzamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C26 H27 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(c2ccc(C#N)cc2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3119 |
| logD: | 4.3119 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.969 |
| InChI Key: | KUTFUACQSKQKDS-UHFFFAOYSA-N |