3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethylphenyl)-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-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1982 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 563.44 |
| Molecular Formula: | C26 H21 F3 N2 O2 S |
| Salt: | HBr |
| Smiles: | CCc1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.9306 |
| logD: | 7.9301 |
| logSw: | -5.9609 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4186 |
| InChI Key: | ZKWBFKQNIFPEHJ-JVCXMKTPSA-N |