5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1983 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C21 H19 N3 O4 S2 |
| Smiles: | CCc1cccc(C)c1NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7353 |
| logD: | 2.7325 |
| logSw: | -3.2703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.673 |
| InChI Key: | BKCVZLAHFBNQNL-UHFFFAOYSA-N |