ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(naphthalen-2-yl)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-{[(naphthalen-2-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(naphthalen-2-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1122 |
| Compound Name: | ethyl 7-(4-chlorophenyl)-5-methyl-2-{[(naphthalen-2-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C26 H23 Cl N4 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nc(n2)SCc1ccc2ccccc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7999 |
| logD: | 6.6989 |
| logSw: | -6.5973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.982 |
| InChI Key: | CPRFOWUGPXJGCF-QHCPKHFHSA-N |