1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0093 |
| Compound Name: | 1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C22 H19 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3ccccc3)=O)N=N2)c(C)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5045 |
| logD: | 2.5044 |
| logSw: | -2.6156 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | NRMRWCVXFJXLPV-UHFFFAOYSA-N |