N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F362-0084 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(4-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1ccc(nn1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5288 |
| logD: | 4.5287 |
| logSw: | -4.2221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.516 |
| InChI Key: | PYWBCJXBFIYGCW-UHFFFAOYSA-N |