5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-6252 |
| Compound Name: | 5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 487.49 |
| Molecular Formula: | C22 H24 F3 N O6 S |
| Smiles: | CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8498 |
| logD: | 2.8498 |
| logSw: | -3.3346 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.05 |
| InChI Key: | QQLNABQOJOEORL-GOSISDBHSA-N |