1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0051 |
| Compound Name: | 1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 449.44 |
| Molecular Formula: | C23 H20 F N5 O4 |
| Smiles: | CCOc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3ccc(cc3)F)=O)N=N2)c(C)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6007 |
| logD: | 2.6006 |
| logSw: | -2.7729 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.618 |
| InChI Key: | RIFHDKUMBFHCJL-UHFFFAOYSA-N |