2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methyl-3-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-methyl-3-nitrophenyl)benzene-1-sulfonamide
2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-4925 |
| Compound Name: | 2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide |
| Molecular Weight: | 470.43 |
| Molecular Formula: | C21 H15 F N4 O6 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1779 |
| logD: | 0.0218 |
| logSw: | -3.1198 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.433 |
| InChI Key: | XEVLYWMGTBUNEQ-UHFFFAOYSA-N |