3-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-2535 |
| Compound Name: | 3-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 502.56 |
| Molecular Formula: | C25 H27 F N2 O6 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9816 |
| logD: | 4.9816 |
| logSw: | -4.7168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.863 |
| InChI Key: | MYFYIKYYEKHNNE-UHFFFAOYSA-N |