1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Chemical Structure Depiction of
1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-2053 |
| Compound Name: | 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one |
| Molecular Weight: | 346.84 |
| Molecular Formula: | C16 H15 Cl N4 O S |
| Smiles: | CC(c1c(C)nc2nc(nn2c1C)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8609 |
| logD: | 2.8609 |
| logSw: | -3.7562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.653 |
| InChI Key: | ONJLQEPMIXRHIT-UHFFFAOYSA-N |