N-benzyl-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-methylthiophene-2-sulfonamide
Chemical Structure Depiction of
N-benzyl-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-methylthiophene-2-sulfonamide
N-benzyl-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-methylthiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1889 |
| Compound Name: | N-benzyl-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-methylthiophene-2-sulfonamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C20 H17 N3 O4 S2 |
| Smiles: | CN(Cc1ccccc1)S(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9886 |
| logD: | 1.9886 |
| logSw: | -2.7739 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.983 |
| InChI Key: | KMTSTCOJAYAUIX-UHFFFAOYSA-N |