N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0686 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC(N(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.625 |
| logD: | 4.625 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.077 |
| InChI Key: | MNXPEGRBBWJEHJ-UHFFFAOYSA-N |