propan-2-yl 2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
propan-2-yl 2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F602-2013 |
| Compound Name: | propan-2-yl 2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Smiles: | CC(C)OC(c1c(C)c(C(N2CCCC(C2)C(NCc2ccc(cc2)SC)=O)=O)[nH]c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5499 |
| logD: | 3.5499 |
| logSw: | -3.8452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.648 |
| InChI Key: | XQTXJCZHFIDYNB-IBGZPJMESA-N |