3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6761 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 341.22 |
| Molecular Formula: | C13 H10 Cl2 N4 O S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1899 |
| logD: | 3.1738 |
| logSw: | -3.562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.697 |
| InChI Key: | MBFUYVJMFVZFAQ-UHFFFAOYSA-N |