1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0365 |
| Compound Name: | 1-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H25 N5 O5 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1c(C)oc(c3ccc(cc3OC)OC)n1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0583 |
| logD: | 3.0582 |
| logSw: | -3.1898 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.669 |
| InChI Key: | LDXNXSRVDVHSOH-UHFFFAOYSA-N |