3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-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-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1675 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 580.38 |
| Molecular Formula: | C24 H16 F3 N3 O4 S |
| Salt: | HBr |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9453 |
| logD: | 6.9448 |
| logSw: | -6.4943 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.8 |
| InChI Key: | RGNPUDRARNLHNA-NFFVHWSESA-N |