(azepan-1-yl)(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-4-yl)methanone
Chemical Structure Depiction of
(azepan-1-yl)(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-4-yl)methanone
(azepan-1-yl)(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | L894-0662 |
| Compound Name: | (azepan-1-yl)(1-{3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}piperidin-4-yl)methanone |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C23 H30 N4 O S |
| Smiles: | Cc1cccc(c1)Sc1c(nccn1)N1CCC(CC1)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7269 |
| logD: | 4.7269 |
| logSw: | -4.4768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.559 |
| InChI Key: | PDUXNGMJNNBTIV-UHFFFAOYSA-N |