4-({N-[2-(dimethylamino)ethyl](ethyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl](ethyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl](ethyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3954 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl](ethyl)carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C21 H28 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(CCN(C)C)Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1125 |
| logD: | 0.4119 |
| logSw: | -3.5096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.095 |
| InChI Key: | KVFMOOSWYSITMX-UHFFFAOYSA-N |