5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-methyl-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-(2-methyl-3-nitrophenyl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-methyl-3-nitrophenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | K906-4883 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-methyl-3-nitrophenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C19 H14 N4 O6 S2 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1511 |
| logD: | 1.417 |
| logSw: | -3.0176 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.451 |
| InChI Key: | PCVYDQSIRXSSMY-UHFFFAOYSA-N |