ethyl 3,5-dimethyl-4-{3-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-{3-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-{3-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0485 |
| Compound Name: | ethyl 3,5-dimethyl-4-{3-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C26 H35 N3 O4 S |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCC(CC2)C(NCc2ccc(cc2)SC)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.281 |
| logD: | 3.281 |
| logSw: | -3.2533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.508 |
| InChI Key: | JEHFEQHDXQGRRH-UHFFFAOYSA-N |