5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-methyl-1-(thiophen-2-yl)propyl]benzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-methyl-1-(thiophen-2-yl)propyl]benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-methyl-1-(thiophen-2-yl)propyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G115-0048 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-methyl-1-(thiophen-2-yl)propyl]benzene-1-sulfonamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C23 H23 N3 O5 S2 |
| Smiles: | CC(C)C(c1cccs1)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4017 |
| logD: | 2.401 |
| logSw: | -3.0777 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.373 |
| InChI Key: | JNUBHLVYBVKNLA-FQEVSTJZSA-N |