N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2443 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C25 H25 N3 O6 S |
| Smiles: | COc1ccc(CCNS(c2ccc(CCN3C(c4cccnc4C3=O)=O)cc2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6711 |
| logD: | 1.6711 |
| logSw: | -2.7311 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.239 |
| InChI Key: | BPELEXPLQGMWST-UHFFFAOYSA-N |