4-[(4-chlorophenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0381 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C22 H17 Cl N4 O S2 |
| Smiles: | Cc1ccc(CSc2nnc3N(Cc4ccc(cc4)[Cl])C(c4c(ccs4)n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4502 |
| logD: | 5.4502 |
| logSw: | -5.8494 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.33 |
| InChI Key: | PINBMHSXEPTQCZ-UHFFFAOYSA-N |