ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2332 |
| Compound Name: | ethyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)n2c(NC=1C)nc(n2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4371 |
| logD: | 5.3361 |
| logSw: | -6.1515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.5 |
| InChI Key: | CSCIKZVTWQHDRL-NRFANRHFSA-N |