5-({N-[2-(dimethylamino)ethyl]-2-fluorobenzamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl]-2-fluorobenzamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({N-[2-(dimethylamino)ethyl]-2-fluorobenzamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-0083 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl]-2-fluorobenzamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C25 H25 Cl2 F N2 O5 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4986 |
| logD: | 4.1628 |
| logSw: | -4.6945 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.772 |
| InChI Key: | SXSVYOUWBIFHCC-UHFFFAOYSA-N |