3-{[N-(butan-2-yl)(3,4-dimethylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(3,4-dimethylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-(butan-2-yl)(3,4-dimethylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V014-4871 |
| Compound Name: | 3-{[N-(butan-2-yl)(3,4-dimethylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 534.6 |
| Molecular Formula: | C27 H29 F3 N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(Nc1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9463 |
| logD: | 6.9463 |
| logSw: | -5.6992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.36 |
| InChI Key: | WEUDMELJEZYANM-FQEVSTJZSA-N |