1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0086 |
| Compound Name: | 1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C22 H18 Cl N5 O4 |
| Smiles: | Cc1c(CN2C3C(C(N(C3=O)c3cccc(c3)OC)=O)N=N2)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9491 |
| logD: | 2.949 |
| logSw: | -3.4259 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.038 |
| InChI Key: | KRFOLIYRPCZLPE-UHFFFAOYSA-N |