N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M086-1333 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide |
| Molecular Weight: | 454.42 |
| Molecular Formula: | C20 H17 F3 N2 O5 S |
| Smiles: | CCc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)c1cc(C(F)(F)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.0486 |
| logD: | 5.0477 |
| logSw: | -4.7808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.647 |
| InChI Key: | DDXSBFYKUZLKFX-UHFFFAOYSA-N |