3-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1595 |
| Compound Name: | 3-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 466 |
| Molecular Formula: | C23 H28 Cl N O5 S |
| Smiles: | CC(C)C(N(CC1CCCO1)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9689 |
| logD: | 3.9689 |
| logSw: | -4.1861 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.865 |
| InChI Key: | DQCMNVLPEZXICM-HXUWFJFHSA-N |