2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6744 |
| Compound Name: | 2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 485.52 |
| Molecular Formula: | C23 H26 F3 N O5 S |
| Smiles: | CC(C)C(N(CC1CCCO1)Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2697 |
| logD: | 4.2697 |
| logSw: | -4.3602 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.952 |
| InChI Key: | LAOVRTUIKLNLMK-LJQANCHMSA-N |