3-({N-(butan-2-yl)[2-(trifluoromethyl)phenyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({N-(butan-2-yl)[2-(trifluoromethyl)phenyl]carbamamido}methyl)phenyl ethanesulfonate
3-({N-(butan-2-yl)[2-(trifluoromethyl)phenyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7746 |
| Compound Name: | 3-({N-(butan-2-yl)[2-(trifluoromethyl)phenyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C21 H25 F3 N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8477 |
| logD: | 4.8477 |
| logSw: | -4.5195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.009 |
| InChI Key: | KGIVKBLBPICERC-HNNXBMFYSA-N |