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 |