ethyl 4-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
ethyl 4-[(1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L894-0063 |
| Compound Name: | ethyl 4-[(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(c1ccc(cc1)NC(C1CCN(CC1)c1c(nccn1)Sc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3996 |
| logD: | 5.3991 |
| logSw: | -5.3413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.424 |
| InChI Key: | BNDBQUVXYISQGT-UHFFFAOYSA-N |