N-{[4-(dimethylamino)phenyl]methyl}-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-{[4-(dimethylamino)phenyl]methyl}-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2060 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | CN(C)c1ccc(CNS(c2ccc(CN3C(c4cccnc4C3=O)=O)s2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8756 |
| logD: | 1.8646 |
| logSw: | -2.9352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.982 |
| InChI Key: | WABLEAMCBXZQFE-UHFFFAOYSA-N |