methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M043-0302 |
| Compound Name: | methyl 4-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ccc(nn1)S(C1CCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4698 |
| logD: | 3.4697 |
| logSw: | -3.7899 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.862 |
| InChI Key: | XQYRQFZQVILRJV-UHFFFAOYSA-N |