methyl ({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
methyl ({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D718-0293 |
| Compound Name: | methyl ({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 378.83 |
| Molecular Formula: | C16 H15 Cl N4 O3 S |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(n2)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8776 |
| logD: | 2.8154 |
| logSw: | -3.5673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.552 |
| InChI Key: | XFBGYBCWKNUHJS-UHFFFAOYSA-N |