methyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M043-0310 |
| Compound Name: | methyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1ccc(nn1)S(C1CCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1037 |
| logD: | 3.0872 |
| logSw: | -3.5724 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.164 |
| InChI Key: | JLVVIZIEIMKQQX-UHFFFAOYSA-N |