methyl 4-(2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y044-5095 |
| Compound Name: | methyl 4-(2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | CC(C)c1nnc2ccc(nn12)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7512 |
| logD: | 2.7511 |
| logSw: | -3.2721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.081 |
| InChI Key: | DASAURCPOKLFLD-UHFFFAOYSA-N |