4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide
4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2805 |
| Compound Name: | 4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C21 H19 N3 O4 S2 |
| Smiles: | Cc1ccsc1CCNS(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5351 |
| logD: | 2.5351 |
| logSw: | -2.9279 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.019 |
| InChI Key: | QTYTWDKKYQLGNC-UHFFFAOYSA-N |