1-(4-fluorophenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-fluorophenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-fluorophenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0591 |
| Compound Name: | 1-(4-fluorophenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C17 H13 F N4 O2 S |
| Smiles: | CSc1cccc(c1)N1C(C2C(C1=O)N(c1ccc(cc1)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4283 |
| logD: | 2.4278 |
| logSw: | -2.7823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.953 |
| InChI Key: | KCHCIYRYTLKFQL-UHFFFAOYSA-N |