N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0259 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 416.74 |
| Molecular Formula: | C17 H12 Cl F3 N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9024 |
| logD: | 3.5706 |
| logSw: | -4.3714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.071 |
| InChI Key: | APUAGOGAWXJHKN-KRWDZBQOSA-N |