2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6721 |
| Compound Name: | 2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C24 H29 F3 N2 O5 S |
| Smiles: | CC(C)(C)NC(N(CC1CCCO1)Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7018 |
| logD: | 4.7017 |
| logSw: | -4.4748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.919 |
| InChI Key: | RBOPEVLYRUFPTD-LJQANCHMSA-N |