5-(diethylamino)-2-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2713 |
| Compound Name: | 5-(diethylamino)-2-{[N-(2-methoxyethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 610.56 |
| Molecular Formula: | C28 H33 Cl2 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCOC)C(Nc2ccccc2OC)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2 |
| logD: | 6.1893 |
| logSw: | -6.1023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.108 |
| InChI Key: | IYOLQQPXXNOIFS-UHFFFAOYSA-N |