2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6673 |
| Compound Name: | 2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 513.58 |
| Molecular Formula: | C25 H30 F3 N O5 S |
| Smiles: | CC(C)(C)CC(N(CC1CCCO1)Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1456 |
| logD: | 5.1456 |
| logSw: | -5.117 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.425 |
| InChI Key: | CTGFLEUVWYHZRO-HXUWFJFHSA-N |