4-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)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-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)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: | 3683-0657 |
| Compound Name: | 4-(2-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C26 H22 N4 O2 S2 |
| Smiles: | Cc1ccccc1N1C(c2c3CCCCc3sc2n2c1nnc2SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2285 |
| logD: | 5.2285 |
| logSw: | -5.1706 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.019 |
| InChI Key: | CPSPAWGDIKPZKS-UHFFFAOYSA-N |