1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0120 |
| Compound Name: | 1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 439.83 |
| Molecular Formula: | C21 H15 Cl F N5 O3 |
| Smiles: | Cc1c(CN2C3C(C(N(C3=O)c3ccc(cc3)F)=O)N=N2)nc(c2ccc(cc2)[Cl])o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8265 |
| logD: | 2.8263 |
| logSw: | -3.4653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | PKPIKZQNILOOGZ-UHFFFAOYSA-N |