N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F814-1072 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(CNc2ccc(nn2)SCC(Nc2ccc3c(c2)OCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7572 |
| logD: | 2.7571 |
| logSw: | -3.1976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.845 |
| InChI Key: | ZUWHYIMHPFEEDQ-UHFFFAOYSA-N |