3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
					Chemical Structure Depiction of
3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
			3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1608 | 
| Compound Name: | 3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate | 
| Molecular Weight: | 466.98 | 
| Molecular Formula: | C22 H27 Cl N2 O5 S | 
| Smiles: | CCNC(N(CC1CCCO1)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 3.3613 | 
| logD: | 3.3613 | 
| logSw: | -3.5879 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 70.634 | 
| InChI Key: | FSHQAOXHAVRNPY-LJQANCHMSA-N | 
 
				 
				