5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
Compound ID: | V031-1958 |
Compound Name: | 5-(diethylamino)-2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
Molecular Weight: | 567.51 |
Molecular Formula: | C27 H29 Cl2 F N2 O4 S |
Salt: | not_available |
Smiles: | CCN(CC)c1ccc(CN(C(C)C)C(c2cccc(c2)F)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.7845 |
logD: | 6.7737 |
logSw: | -6.521 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.778 |
InChI Key: | MLXUALUQMHKMPN-UHFFFAOYSA-N |