5-(diethylamino)-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2710 |
| Compound Name: | 5-(diethylamino)-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C27 H35 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CCCO2)C(C(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0626 |
| logD: | 5.0518 |
| logSw: | -4.8117 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.688 |
| InChI Key: | BPBXNOFPTIKUNH-HSZRJFAPSA-N |