N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-fluoro-3-nitrophenyl)urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-fluoro-3-nitrophenyl)urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-fluoro-3-nitrophenyl)urea
Compound characteristics
| Compound ID: | C097-0176 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-fluoro-3-nitrophenyl)urea |
| Molecular Weight: | 421.69 |
| Molecular Formula: | C15 H8 Cl F4 N3 O5 |
| Smiles: | c1cc(c(cc1NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)[N+]([O-])=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7323 |
| logD: | 3.9895 |
| logSw: | -5.1926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.714 |
| InChI Key: | WQFAZHKDMXMVIF-HNNXBMFYSA-N |