methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-2056 |
| Compound Name: | methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 348.81 |
| Molecular Formula: | C15 H13 Cl N4 O2 S |
| Smiles: | Cc1c(cnc2nc(nn12)SCc1ccc(cc1)[Cl])C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7645 |
| logD: | 2.7645 |
| logSw: | -3.4368 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.945 |
| InChI Key: | NRDDSSQIYRWWQS-UHFFFAOYSA-N |