4-(3-nitrophenyl)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-(3-nitrophenyl)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
4-(3-nitrophenyl)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3335-0968 |
| Compound Name: | 4-(3-nitrophenyl)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 589.51 |
| Molecular Formula: | C28 H24 N6 O2 S |
| Salt: | HBr |
| Smiles: | C1CCc2nnc(c3ccc(cc3)/N=C3/N(C(=CS3)c3cccc(c3)[N+]([O-])=O)c3ccccc3)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.7871 |
| logD: | 5.7867 |
| logSw: | -6.0783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.097 |
| InChI Key: | ANJLVJHQRRYJED-ZIADKAODSA-N |