5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-5309 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 535.5 |
| Molecular Formula: | C24 H20 F3 N3 O6 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(NCCOc1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9112 |
| logD: | 2.9111 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.048 |
| InChI Key: | PURJXMCCFWJPED-UHFFFAOYSA-N |