ethyl 7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2539 |
| Compound Name: | ethyl 7-(3-chlorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C16 H17 Cl N4 O2 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])n2c(NC=1C)nc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0128 |
| logD: | 3.8445 |
| logSw: | -4.3445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | OJAPNZCKROAXTN-ZDUSSCGKSA-N |