3-({[(furan-2-yl)methyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({[(furan-2-yl)methyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({[(furan-2-yl)methyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2021 |
| Compound Name: | 3-({[(furan-2-yl)methyl](methoxyacetyl)amino}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C22 H22 Cl N O6 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(COC)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3442 |
| logD: | 3.3442 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.856 |
| InChI Key: | DLGUYANEWPRMAI-UHFFFAOYSA-N |