ethyl 5-methyl-7-(3-nitrophenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(3-nitrophenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(3-nitrophenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1046 |
| Compound Name: | ethyl 5-methyl-7-(3-nitrophenyl)-2-({[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl}sulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 594.65 |
| Molecular Formula: | C31 H26 N6 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1ccc(cc1)c1ncc(c2ccccc2)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6597 |
| logD: | 6.5587 |
| logSw: | -5.5312 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.087 |
| InChI Key: | BVWFUCAVIKGOCL-MHZLTWQESA-N |