ethyl 4-[(3-chloro-N-cyclohexylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-chloro-N-cyclohexylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[(3-chloro-N-cyclohexylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0197 |
| Compound Name: | ethyl 4-[(3-chloro-N-cyclohexylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 416.95 |
| Molecular Formula: | C23 H29 Cl N2 O3 |
| Smiles: | CCOC(c1c(C)c(CN(C2CCCCC2)C(c2cccc(c2)[Cl])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.527 |
| logD: | 5.527 |
| logSw: | -5.7835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.158 |
| InChI Key: | YHABDTZBIWNGGD-UHFFFAOYSA-N |