1-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
Chemical Structure Depiction of
1-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
1-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane
Compound characteristics
| Compound ID: | J005-0526 |
| Compound Name: | 1-(2,5-dimethoxybenzene-1-sulfonyl)-2-(3-fluorophenyl)azepane |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCCCC1c1cccc(c1)F)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3159 |
| logD: | 4.3159 |
| logSw: | -4.3092 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.654 |
| InChI Key: | IZZMHMFUNYZKQQ-SFHVURJKSA-N |