N-(3-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(3-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(3-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0011 |
| Compound Name: | N-(3-methylphenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 338.28 |
| Molecular Formula: | C16 H13 F3 N2 O3 |
| Smiles: | Cc1cccc(c1)NC(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3276 |
| logD: | 4.1944 |
| logSw: | -4.4698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.633 |
| InChI Key: | HXOHLBUWYBDDFQ-UHFFFAOYSA-N |