N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-methylurea
Chemical Structure Depiction of
N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-methylurea
N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-methylurea
Compound characteristics
| Compound ID: | C097-0429 |
| Compound Name: | N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-methylurea |
| Molecular Weight: | 421.2 |
| Molecular Formula: | C17 H13 Cl2 F3 N2 O3 |
| Smiles: | CN(Cc1ccccc1)C(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1383 |
| logD: | 4.5128 |
| logSw: | -5.6823 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.301 |
| InChI Key: | OKBICFONBPTMLN-UHFFFAOYSA-N |