3-ethyl-4-(4-nitrophenyl)-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
3-ethyl-4-(4-nitrophenyl)-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)
3-ethyl-4-(4-nitrophenyl)-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: | 8014-5802 |
| Compound Name: | 3-ethyl-4-(4-nitrophenyl)-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: | 541.47 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Salt: | HBr |
| Smiles: | CCN1C(=CSC/1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0626 |
| logD: | 5.0622 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.705 |
| InChI Key: | WYFBQCDVNBAGTO-IZHYLOQSSA-N |