5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(1,2-oxazol-5-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-(1,2-oxazol-5-yl)phenyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(1,2-oxazol-5-yl)phenyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2049 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(1,2-oxazol-5-yl)phenyl]thiophene-2-sulfonamide |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C21 H14 N4 O5 S2 |
| Smiles: | C(c1ccc(s1)S(Nc1ccc(cc1)c1ccno1)(=O)=O)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9369 |
| logD: | 1.9357 |
| logSw: | -2.9381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.937 |
| InChI Key: | BHAXWVWULSVXFM-UHFFFAOYSA-N |