N-(3-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(3-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(3-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0023 |
| Compound Name: | N-(3-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 369.25 |
| Molecular Formula: | C15 H10 F3 N3 O5 |
| Smiles: | c1ccc2c(c1)OC(C(F)(F)F)(NC(Nc1cccc(c1)[N+]([O-])=O)=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0354 |
| logD: | 3.4564 |
| logSw: | -4.4159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.014 |
| InChI Key: | MOCRGCBLJCFLGC-UHFFFAOYSA-N |