5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]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-methoxyphenyl)methyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1985 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C20 H17 N3 O5 S2 |
| Smiles: | COc1cccc(CNS(c2ccc(CN3C(c4cccnc4C3=O)=O)s2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8829 |
| logD: | 1.8823 |
| logSw: | -2.8434 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.721 |
| InChI Key: | NVLVVNHTZYDXAB-UHFFFAOYSA-N |