5-(3-chlorophenyl)-1-{[2-(2,3-dimethoxyphenyl)-5-methyl-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-(3-chlorophenyl)-1-{[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-{[2-(2,3-dimethoxyphenyl)-5-methyl-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: | G228-0163 |
| Compound Name: | 5-(3-chlorophenyl)-1-{[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 481.89 |
| Molecular Formula: | C23 H20 Cl N5 O5 |
| Smiles: | Cc1c(CN2C3C(C(N(C3=O)c3cccc(c3)[Cl])=O)N=N2)nc(c2cccc(c2OC)OC)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6104 |
| logD: | 2.6101 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.842 |
| InChI Key: | MJMQDPCFWIEHRG-UHFFFAOYSA-N |