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 | 
 
				 
				