6-[(2-chlorophenyl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(2-chlorophenyl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-7885 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 431.34 |
| Molecular Formula: | C20 H16 Cl2 N4 O S |
| Smiles: | CC1=C(Cc2ccccc2[Cl])C(n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3382 |
| logD: | 5.2946 |
| logSw: | -5.7871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.702 |
| InChI Key: | OUWPKRZCUXLRFN-UHFFFAOYSA-N |