5-(4-ethylphenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-ethylphenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethylphenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0112 |
| Compound Name: | 5-(4-ethylphenyl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C24 H23 N5 O3 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1c(C)oc(c3ccc(C)cc3)n1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5567 |
| logD: | 3.5566 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | IHKHJQPOIHVCLG-UHFFFAOYSA-N |