5-(3-chloro-4-methylphenyl)-1-{[2-(4-ethoxyphenyl)-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-chloro-4-methylphenyl)-1-{[2-(4-ethoxyphenyl)-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-chloro-4-methylphenyl)-1-{[2-(4-ethoxyphenyl)-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: | G228-0056 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-1-{[2-(4-ethoxyphenyl)-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: | 479.92 |
| Molecular Formula: | C24 H22 Cl N5 O4 |
| Smiles: | CCOc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3ccc(C)c(c3)[Cl])=O)N=N2)c(C)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8265 |
| logD: | 3.8262 |
| logSw: | -4.3584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.618 |
| InChI Key: | XHAJYZWHSZKWIK-UHFFFAOYSA-N |