4-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
Compound ID: | V030-5604 |
Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-2-methylpropanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
Molecular Weight: | 453 |
Molecular Formula: | C22 H29 Cl N2 O4 S |
Salt: | not_available |
Smiles: | CC(C)C(N(CCN(C)C)Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7673 |
logD: | 2.8032 |
logSw: | -3.9106 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 56.327 |
InChI Key: | FVPMUEALKDQNMP-UHFFFAOYSA-N |