ethyl 2,4-dimethyl-5-{4-[1-({[4-(methylsulfanyl)phenyl]methyl}amino)-1-oxopropan-2-yl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-{4-[1-({[4-(methylsulfanyl)phenyl]methyl}amino)-1-oxopropan-2-yl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-{4-[1-({[4-(methylsulfanyl)phenyl]methyl}amino)-1-oxopropan-2-yl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0522 |
| Compound Name: | ethyl 2,4-dimethyl-5-{4-[1-({[4-(methylsulfanyl)phenyl]methyl}amino)-1-oxopropan-2-yl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C26 H35 N3 O4 S |
| Smiles: | CCOC(c1c(C)c(C(N2CCC(CC2)C(C)C(NCc2ccc(cc2)SC)=O)=O)[nH]c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.567 |
| logD: | 3.567 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.035 |
| InChI Key: | JCSWUKDQCWCDJZ-INIZCTEOSA-N |