4-(4-chlorophenyl)-8-methyl-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-(4-chlorophenyl)-8-methyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(4-chlorophenyl)-8-methyl-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: | 8016-6480 |
| Compound Name: | 4-(4-chlorophenyl)-8-methyl-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: | 402.92 |
| Molecular Formula: | C18 H15 Cl N4 O S2 |
| Smiles: | CC1CCc2c3C(N(c4ccc(cc4)[Cl])c4nnc(n4c3sc2C1)S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3358 |
| logD: | 3.1166 |
| logSw: | -4.8912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.818 |
| InChI Key: | KSIFIYGGIMWOFW-SECBINFHSA-N |