5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-(thiophen-2-yl)ethyl]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-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-5313 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(NCCc1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8888 |
| logD: | 1.8887 |
| logSw: | -2.9088 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.649 |
| InChI Key: | OTGJZPSCXYQWGD-UHFFFAOYSA-N |