ethyl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C316-0052 |
| Compound Name: | ethyl 5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4661 |
| logD: | 5.3651 |
| logSw: | -5.3754 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.635 |
| InChI Key: | YTLMHTGBNOUWGP-FQEVSTJZSA-N |