5-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
Compound ID: | V026-4325 |
Compound Name: | 5-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
Molecular Weight: | 489.42 |
Molecular Formula: | C21 H26 Cl2 N2 O5 S |
Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(NCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8323 |
logD: | 4.8323 |
logSw: | -4.9383 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.297 |
InChI Key: | QQQVQXLIFPLSFN-AWEZNQCLSA-N |