4-(3-methylphenyl)-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-(3-methylphenyl)-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylphenyl)-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: | 5627-0121 |
| Compound Name: | 4-(3-methylphenyl)-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: | 368.48 |
| Molecular Formula: | C18 H16 N4 O S2 |
| Smiles: | Cc1cccc(c1)N1C(c2c3CCCCc3sc2n2c1nnc2S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8055 |
| logD: | 2.5863 |
| logSw: | -4.1583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.818 |
| InChI Key: | CDSJMZUNSYSRKN-UHFFFAOYSA-N |