N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L894-0052 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-[(4-methylphenyl)sulfanyl]pyrazin-2-yl}piperidine-4-carboxamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(nccn1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4001 |
| logD: | 4.4001 |
| logSw: | -4.2206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.108 |
| InChI Key: | ZHSJAJYMVLBGLS-UHFFFAOYSA-N |