4-ethyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-ethyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-ethyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 5508-0309 |
| Compound Name: | 4-ethyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 306.41 |
| Molecular Formula: | C13 H14 N4 O S2 |
| Smiles: | CCN1C(c2c3CCCCc3sc2n2c1nnc2S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4785 |
| logD: | 0.9852 |
| logSw: | -2.2098 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.426 |
| InChI Key: | XNXBAGYEDZIKMG-UHFFFAOYSA-N |