N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0068 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 471.46 |
| Molecular Formula: | C23 H16 F3 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(NC1(C(F)(F)F)Oc3ccccc3O1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.3805 |
| logD: | 5.9207 |
| logSw: | -5.5797 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.082 |
| InChI Key: | GKGYBGPCCZDCHR-UHFFFAOYSA-N |