1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
Chemical Structure Depiction of
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
Compound characteristics
| Compound ID: | J005-0548 |
| Compound Name: | 1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | COc1ccc(cc1OC)S(N1CCCCCC1c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0697 |
| logD: | 4.0697 |
| logSw: | -4.1254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.741 |
| InChI Key: | PRRODZBOCKGVOL-SFHVURJKSA-N |