methyl 4-{2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F814-1067 |
| Compound Name: | methyl 4-{2-[(6-{[(4-methylphenyl)methyl]amino}pyridazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc(CNc2ccc(nn2)SCC(Nc2ccc(cc2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8754 |
| logD: | 3.8753 |
| logSw: | -3.9749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.196 |
| InChI Key: | YHOSGGPJUPYVTD-UHFFFAOYSA-N |