butyl 4-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
butyl 4-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
butyl 4-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | C097-0036 |
| Compound Name: | butyl 4-{[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 424.38 |
| Molecular Formula: | C20 H19 F3 N2 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5538 |
| logD: | 5.094 |
| logSw: | -5.5111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.681 |
| InChI Key: | WINYOTHLRMZHCJ-UHFFFAOYSA-N |