N-(4-fluoro-2-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(4-fluoro-2-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(4-fluoro-2-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0053 |
| Compound Name: | N-(4-fluoro-2-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 387.24 |
| Molecular Formula: | C15 H9 F4 N3 O5 |
| Smiles: | c1ccc2c(c1)OC(C(F)(F)F)(NC(Nc1ccc(cc1[N+]([O-])=O)F)=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.9076 |
| logD: | 2.4784 |
| logSw: | -4.1893 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.016 |
| InChI Key: | BSLKWHFZJARWPO-UHFFFAOYSA-N |