3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-([1,1'-biphenyl]-4-yl)-N-(4-fluorophenyl)-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-([1,1'-biphenyl]-4-yl)-N-(4-fluorophenyl)-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-([1,1'-biphenyl]-4-yl)-N-(4-fluorophenyl)-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8008-9493 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-([1,1'-biphenyl]-4-yl)-N-(4-fluorophenyl)-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 561.47 |
| Molecular Formula: | C29 H21 F N2 O2 S |
| Salt: | HBr |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=CSC/1=N/c1ccc(cc1)F)c1ccc(cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.7113 |
| logD: | 7.7112 |
| logSw: | -6.5312 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.147 |
| InChI Key: | LMIABGCGDJPPKS-YCNYHXFESA-N |