4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2557 |
| Compound Name: | 4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 491.44 |
| Molecular Formula: | C22 H16 F3 N3 O5 S |
| Smiles: | C(CN1C(c2cccnc2C1=O)=O)c1ccc(cc1)S(Nc1ccc(cc1)OC(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2513 |
| logD: | 3.217 |
| logSw: | -3.9002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.965 |
| InChI Key: | UHMXBYLTYPFABL-UHFFFAOYSA-N |