ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7898 |
| Compound Name: | ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 362.84 |
| Molecular Formula: | C16 H15 Cl N4 O2 S |
| Smiles: | CCOC(c1cnc2nc(nn2c1C)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6464 |
| logD: | 3.6464 |
| logSw: | -3.9544 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.525 |
| InChI Key: | KGGXBQKDTSHIEJ-UHFFFAOYSA-N |