5-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0574 |
| Compound Name: | 5-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C19 H16 F2 N4 O3 |
| Smiles: | COc1ccc(CCN2C3C(C(N(C3=O)c3ccc(c(c3)F)F)=O)N=N2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.236 |
| logD: | 2.234 |
| logSw: | -2.6128 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.895 |
| InChI Key: | KKWVGFSDLXKNKU-UHFFFAOYSA-N |