2-(4-chlorophenyl)-1-(3,4-dimethoxybenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-(3,4-dimethoxybenzene-1-sulfonyl)azepane
2-(4-chlorophenyl)-1-(3,4-dimethoxybenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0542 |
| Compound Name: | 2-(4-chlorophenyl)-1-(3,4-dimethoxybenzene-1-sulfonyl)azepane |
| Molecular Weight: | 409.93 |
| Molecular Formula: | C20 H24 Cl N O4 S |
| Smiles: | COc1ccc(cc1OC)S(N1CCCCCC1c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5769 |
| logD: | 4.5769 |
| logSw: | -4.9967 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.741 |
| InChI Key: | RGZIMNYMQQLPDL-SFHVURJKSA-N |