N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0528 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C25 H18 Cl N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1)N1C(C=CC(=N1)Sc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7963 |
| logD: | 4.7963 |
| logSw: | -5.0641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.077 |
| InChI Key: | WEYRFQIRFNUEBF-UHFFFAOYSA-N |