3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1983 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-fluoro-4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 583.4 |
| Molecular Formula: | C25 H18 F4 N2 O3 S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1F)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 7.11 |
| logD: | 7.1095 |
| logSw: | -5.9956 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.049 |
| InChI Key: | FJSLBKNBGCHWGH-KRUMMXJUSA-N |