2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethan-1-one
Chemical Structure Depiction of
2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethan-1-one
2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 4913-0041 |
| Compound Name: | 2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C20 H18 N4 O S2 |
| Smiles: | CC1=Nc2c(c3CCCCc3s2)c2nnc(n12)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8377 |
| logD: | 3.8376 |
| logSw: | -4.2445 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.614 |
| InChI Key: | BHSNUKNHZJBFTJ-UHFFFAOYSA-N |