ethyl 4-({(5-chloro-2-methylphenyl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(5-chloro-2-methylphenyl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(5-chloro-2-methylphenyl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0022 |
| Compound Name: | ethyl 4-({(5-chloro-2-methylphenyl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 468 |
| Molecular Formula: | C26 H30 Cl N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(Nc2cc(ccc2C)[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9086 |
| logD: | 5.9086 |
| logSw: | -5.9623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.036 |
| InChI Key: | KBQBYRNCWIYCMK-UHFFFAOYSA-N |