ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0121 |
| Compound Name: | ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1352 |
| logD: | 6.0342 |
| logSw: | -6.2706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.253 |
| InChI Key: | KXOAKSCGVMEDGC-FQEVSTJZSA-N |