1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0078 |
| Compound Name: | 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C23 H20 Cl N5 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(Cc1c(C)oc(c3cccc(c3)[Cl])n1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8205 |
| logD: | 3.8204 |
| logSw: | -4.2378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | NLUPUBCBSWURFU-UHFFFAOYSA-N |