N-[(3,4-dimethoxyphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-[(3,4-dimethoxyphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0799 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC(N(c2ccc(cc2)C(NCc2ccc(c(c2)OC)OC)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3268 |
| logD: | 4.3268 |
| logSw: | -4.376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.222 |
| InChI Key: | YVTGASYPDGBHNW-UHFFFAOYSA-N |