N-(4-chloro-3-nitrophenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-(4-chloro-3-nitrophenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-4923 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 490.85 |
| Molecular Formula: | C20 H12 Cl F N4 O6 S |
| Smiles: | C(c1ccc(cc1S(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)F)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3374 |
| logD: | -1.3739 |
| logSw: | -3.5415 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.131 |
| InChI Key: | PBVCCFRVHAHYQV-UHFFFAOYSA-N |