1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0091 |
| Compound Name: | 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 463.92 |
| Molecular Formula: | C24 H22 Cl N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(Cc1c(C)oc(c3cccc(c3)[Cl])n1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1234 |
| logD: | 4.1233 |
| logSw: | -4.6837 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | HMBFGCILKAITAL-UHFFFAOYSA-N |