5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(propan-2-yl)phenyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(propan-2-yl)phenyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(propan-2-yl)phenyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1988 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(propan-2-yl)phenyl]thiophene-2-sulfonamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C21 H19 N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4072 |
| logD: | 3.4038 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | NEOZQJFIKAJFPJ-UHFFFAOYSA-N |