5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-nitrophenyl)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-(4-nitrophenyl)benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G115-0008 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-nitrophenyl)benzene-1-sulfonamide |
| Molecular Weight: | 468.44 |
| Molecular Formula: | C21 H16 N4 O7 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(Nc1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7956 |
| logD: | 0.2603 |
| logSw: | -2.8241 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.062 |
| InChI Key: | AOJQZMDFECEOER-UHFFFAOYSA-N |