N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-nitrophenyl)urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-nitrophenyl)urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-nitrophenyl)urea
Compound characteristics
Compound ID: | C097-0188 |
Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-nitrophenyl)urea |
Molecular Weight: | 403.7 |
Molecular Formula: | C15 H9 Cl F3 N3 O5 |
Smiles: | c1cc(ccc1NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6984 |
logD: | 4.0905 |
logSw: | -5.1971 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.014 |
InChI Key: | LPKGSWWTELYSIC-HNNXBMFYSA-N |