propan-2-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
propan-2-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y021-2605 |
| Compound Name: | propan-2-yl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C17 H17 Cl N4 O2 S |
| Smiles: | CC(C)OC(c1cnc2nc(nn2c1C)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8666 |
| logD: | 3.8666 |
| logSw: | -4.1462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.204 |
| InChI Key: | BAQXIDJRCUXWON-UHFFFAOYSA-N |