5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[3-(methylsulfanyl)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-[3-(methylsulfanyl)phenyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[3-(methylsulfanyl)phenyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1979 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[3-(methylsulfanyl)phenyl]thiophene-2-sulfonamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C19 H15 N3 O4 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4969 |
| logD: | 2.4929 |
| logSw: | -3.1287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | LDUFVVJIHICFKJ-UHFFFAOYSA-N |