N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-(propan-2-yl)urea
Chemical Structure Depiction of
N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-(propan-2-yl)urea
N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-(propan-2-yl)urea
Compound characteristics
Compound ID: | C097-0433 |
Compound Name: | N-benzyl-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N-(propan-2-yl)urea |
Molecular Weight: | 449.26 |
Molecular Formula: | C19 H17 Cl2 F3 N2 O3 |
Smiles: | CC(C)N(Cc1ccccc1)C(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.7127 |
logD: | 5.5632 |
logSw: | -5.9242 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.105 |
InChI Key: | OYTRZLPGRGBFIC-UHFFFAOYSA-N |