ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-2067 |
| Compound Name: | ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | CCOC(c1cnc2nc(nn2c1c1ccccc1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6392 |
| logD: | 4.6392 |
| logSw: | -4.938 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.283 |
| InChI Key: | RUDXZDUXVQDOEB-UHFFFAOYSA-N |