ethyl 4-({N-cyclohexyl[3-(methylsulfanyl)phenyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({N-cyclohexyl[3-(methylsulfanyl)phenyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({N-cyclohexyl[3-(methylsulfanyl)phenyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0300 |
| Compound Name: | ethyl 4-({N-cyclohexyl[3-(methylsulfanyl)phenyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C24 H33 N3 O3 S |
| Smiles: | CCOC(c1c(C)c(CN(C2CCCCC2)C(Nc2cccc(c2)SC)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5763 |
| logD: | 5.5763 |
| logSw: | -5.2808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.979 |
| InChI Key: | KBTAVQDRQRQZGM-UHFFFAOYSA-N |