N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(2-methoxy-4-nitrophenyl)urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(2-methoxy-4-nitrophenyl)urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(2-methoxy-4-nitrophenyl)urea
Compound characteristics
| Compound ID: | C097-0216 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(2-methoxy-4-nitrophenyl)urea |
| Molecular Weight: | 433.73 |
| Molecular Formula: | C16 H11 Cl F3 N3 O6 |
| Smiles: | COc1cc(ccc1NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5892 |
| logD: | 4.3453 |
| logSw: | -5.0244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.947 |
| InChI Key: | CJXKGAKWCUXQGB-INIZCTEOSA-N |