ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L894-0037 |
| Compound Name: | ethyl 3-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCN(CC1)c1c(nccn1)Sc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5802 |
| logD: | 5.5801 |
| logSw: | -5.3501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.424 |
| InChI Key: | CNVYOTYWDJYDQF-UHFFFAOYSA-N |