2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-4930 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide |
| Molecular Weight: | 486.43 |
| Molecular Formula: | C21 H15 F N4 O7 S |
| Smiles: | COc1ccc(cc1NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8254 |
| logD: | -1.5352 |
| logSw: | -2.8561 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.364 |
| InChI Key: | YQXRLHMBOBUHLF-UHFFFAOYSA-N |