4-({N-(butan-2-yl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-(butan-2-yl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-(butan-2-yl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4070 |
| Compound Name: | 4-({N-(butan-2-yl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H31 F3 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(Nc1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2551 |
| logD: | 7.2551 |
| logSw: | -5.7095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.36 |
| InChI Key: | XIJCKLUGMFQKAX-FQEVSTJZSA-N |