5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2735 |
| Compound Name: | 5-(diethylamino)-2-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 635.7 |
| Molecular Formula: | C31 H36 F3 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(Nc2ccccc2OC)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9776 |
| logD: | 5.9669 |
| logSw: | -5.5491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.17 |
| InChI Key: | OVYZORONOYDTNU-RUZDIDTESA-N |