4-([1,1'-biphenyl]-4-yl)-3-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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: | 8014-5812 |
| Compound Name: | 4-([1,1'-biphenyl]-4-yl)-3-(prop-2-en-1-yl)-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: | 584.58 |
| Molecular Formula: | C31 H29 N5 S |
| Salt: | HBr |
| Smiles: | C=CCN1C(=CSC\1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1ccc(cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0416 |
| logD: | 7.0412 |
| logSw: | -6.3638 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.306 |
| InChI Key: | YBYSSRFRYUDTLF-QNEJGDQOSA-N |