S-(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) benzenecarbothioate
Chemical Structure Depiction of
S-(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) benzenecarbothioate
S-(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) benzenecarbothioate
Compound characteristics
| Compound ID: | 8016-4637 |
| Compound Name: | S-(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) benzenecarbothioate |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C20 H18 N4 O S2 |
| Smiles: | CCC1=Nc2c(c3CCCCc3s2)c2nnc(n12)SC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6077 |
| logD: | 4.6077 |
| logSw: | -4.5366 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.731 |
| InChI Key: | XNIANJXAYRXPLI-UHFFFAOYSA-N |