methyl 2,4-dimethyl-5-{4-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2,4-dimethyl-5-{4-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
methyl 2,4-dimethyl-5-{4-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0287 |
| Compound Name: | methyl 2,4-dimethyl-5-{4-[2-({[4-(methylsulfanyl)phenyl]methyl}amino)-2-oxoethyl]piperidine-1-carbonyl}-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(C)[nH]c1C(N1CCC(CC1)CC(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2891 |
| logD: | 3.2891 |
| logSw: | -3.5752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.242 |
| InChI Key: | IEIIJLQHPKDGDN-UHFFFAOYSA-N |