N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
Compound characteristics
Compound ID: | F362-0683 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{6-[(3-methylphenyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide |
Molecular Weight: | 462.57 |
Molecular Formula: | C25 H26 N4 O3 S |
Smiles: | Cc1cccc(c1)Sc1ccc(nn1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.3596 |
logD: | 4.3595 |
logSw: | -4.2448 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.516 |
InChI Key: | LGUOJKHZLAYXKE-UHFFFAOYSA-N |