5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-nitrophenyl)thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-nitrophenyl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-nitrophenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | K906-4918 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3-nitrophenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C18 H12 N4 O6 S2 |
| Smiles: | C(c1ccc(s1)S(Nc1cccc(c1)[N+]([O-])=O)(=O)=O)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1037 |
| logD: | 1.5533 |
| logSw: | -3.2807 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.45 |
| InChI Key: | PXHYMMQAUWOCMS-UHFFFAOYSA-N |