ethyl 5-[(4-cyano-N-cyclohexylbenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-cyano-N-cyclohexylbenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[(4-cyano-N-cyclohexylbenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F347-0307 |
| Compound Name: | ethyl 5-[(4-cyano-N-cyclohexylbenzamido)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CN(C2CCCCC2)C(c2ccc(C#N)cc2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.282 |
| logD: | 4.282 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.709 |
| InChI Key: | GAEQRQOXILUYSN-UHFFFAOYSA-N |