2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6696 |
| Compound Name: | 2-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C21 H25 F3 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9648 |
| logD: | 4.9647 |
| logSw: | -4.5928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.666 |
| InChI Key: | GXJIMGDHJDFTFA-HNNXBMFYSA-N |