2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3683-0650 |
| Compound Name: | 2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C20 H19 N5 O2 S2 |
| Smiles: | Cc1ccccc1N1C(c2c3CCCCc3sc2n2c1nnc2SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0453 |
| logD: | 3.0453 |
| logSw: | -3.446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.431 |
| InChI Key: | JBQMYJMBBVCVJJ-UHFFFAOYSA-N |