N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[(4-methoxyphenyl)methyl]urea
Chemical Structure Depiction of
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[(4-methoxyphenyl)methyl]urea
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[(4-methoxyphenyl)methyl]urea
Compound characteristics
| Compound ID: | C097-0407 |
| Compound Name: | N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-[(4-methoxyphenyl)methyl]urea |
| Molecular Weight: | 437.2 |
| Molecular Formula: | C17 H13 Cl2 F3 N2 O4 |
| Smiles: | COc1ccc(CNC(NC2(C(F)(F)F)Oc3cc(c(cc3O2)[Cl])[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4253 |
| logD: | 3.969 |
| logSw: | -4.6674 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.499 |
| InChI Key: | PGSQQZTUDTXATH-UHFFFAOYSA-N |