5-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1088 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl](2-methoxyphenyl)carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 582.5 |
| Molecular Formula: | C26 H29 Cl2 N3 O6 S |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8941 |
| logD: | 2.7524 |
| logSw: | -4.9622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.526 |
| InChI Key: | AGRSGNUUBCOKQB-UHFFFAOYSA-N |