N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-methyl-1,3-benzothiazol-2-yl)urea
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-methyl-1,3-benzothiazol-2-yl)urea
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-methyl-1,3-benzothiazol-2-yl)urea
Compound characteristics
| Compound ID: | C097-0226 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-N'-(4-methyl-1,3-benzothiazol-2-yl)urea |
| Molecular Weight: | 429.8 |
| Molecular Formula: | C17 H11 Cl F3 N3 O3 S |
| Smiles: | Cc1cccc2c1nc(NC(NC1(C(F)(F)F)Oc3ccc(cc3O1)[Cl])=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8234 |
| logD: | 5.2268 |
| logSw: | -6.0084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.165 |
| InChI Key: | HKQGPUVVHCUONK-KRWDZBQOSA-N |