5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2021 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide |
| Molecular Weight: | 483.44 |
| Molecular Formula: | C19 H12 F3 N3 O5 S2 |
| Smiles: | C(c1ccc(s1)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2603 |
| logD: | 3.2547 |
| logSw: | -3.8517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.005 |
| InChI Key: | QLECLBFAQLFROB-UHFFFAOYSA-N |