2-{2-[2-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[2-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-{2-[2-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4552-0021 |
| Compound Name: | 2-{2-[2-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C28 H30 N2 O6 S |
| Smiles: | COc1cc(CCN2C(c3cccc4cccc(C2=O)c34)=O)c(cc1OC)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2111 |
| logD: | 4.2111 |
| logSw: | -4.5341 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.135 |
| InChI Key: | BNHSGPMNGFFGMG-UHFFFAOYSA-N |