N-(2-methoxy-4-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(2-methoxy-4-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0060 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 399.28 |
| Molecular Formula: | C16 H12 F3 N3 O6 |
| Smiles: | COc1cc(ccc1NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7841 |
| logD: | 3.6184 |
| logSw: | -4.1501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.947 |
| InChI Key: | BLZXSFIMHUBKAL-UHFFFAOYSA-N |