4-([1,1'-biphenyl]-4-yl)-3-ethyl-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-([1,1'-biphenyl]-4-yl)-3-ethyl-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-([1,1'-biphenyl]-4-yl)-3-ethyl-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: | 8014-5816 |
| Compound Name: | 4-([1,1'-biphenyl]-4-yl)-3-ethyl-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: | 572.57 |
| Molecular Formula: | C30 H29 N5 S |
| Salt: | HBr |
| Smiles: | CCN1C(=CSC/1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1ccc(cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8556 |
| logD: | 6.8553 |
| logSw: | -5.9249 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.052 |
| InChI Key: | KTXQZOCPFVSQGI-KTMFPKCZSA-N |