3-benzyl-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-benzyl-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-benzyl-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1202 |
| Compound Name: | 3-benzyl-4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 536.37 |
| Molecular Formula: | C23 H16 F3 N3 O2 S |
| Salt: | HBr |
| Smiles: | C(c1ccccc1)N1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0741 |
| logD: | 7.0736 |
| logSw: | -6.4723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.685 |
| InChI Key: | OYKCKOAXWBCDEW-QYQHSDTDSA-N |