ethyl 7-(4-methoxyphenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-methoxyphenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-methoxyphenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1438 |
| Compound Name: | ethyl 7-(4-methoxyphenyl)-5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)n2c(NC=1C)nc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5243 |
| logD: | 4.4234 |
| logSw: | -4.2859 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.178 |
| InChI Key: | WLQHPVZIUTZSKR-FQEVSTJZSA-N |