N-(4-butylphenyl)-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(4-butylphenyl)-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(4-butylphenyl)-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0335 |
| Compound Name: | N-(4-butylphenyl)-N'-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 449.26 |
| Molecular Formula: | C19 H17 Cl2 F3 N2 O3 |
| Smiles: | CCCCc1ccc(cc1)NC(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1956 |
| logD: | 6.4208 |
| logSw: | -6.5283 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.633 |
| InChI Key: | VWBUJYAWCVJWPM-UHFFFAOYSA-N |