2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2711 |
| Compound Name: | 2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 585.69 |
| Molecular Formula: | C28 H38 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(NC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4947 |
| logD: | 5.484 |
| logSw: | -5.4651 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.655 |
| InChI Key: | SKMLCDIBUXAGHF-HSZRJFAPSA-N |