3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1408 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 553.37 |
| Molecular Formula: | C24 H16 F4 N2 O2 S |
| Salt: | HBr |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 7.029 |
| logD: | 7.0286 |
| logSw: | -6.5701 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4186 |
| InChI Key: | XFZOMOPBRUPNQU-FAJYDZGRSA-N |