3,4-bis(4-bromophenyl)-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
3,4-bis(4-bromophenyl)-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)
3,4-bis(4-bromophenyl)-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: | 8014-5834 |
| Compound Name: | 3,4-bis(4-bromophenyl)-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: | 702.31 |
| Molecular Formula: | C28 H23 Br2 N5 S |
| Salt: | HBr |
| Smiles: | C1CCc2nnc(c3ccc(cc3)/N=C3/N(C(=CS3)c3ccc(cc3)[Br])c3ccc(cc3)[Br])n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 7.6311 |
| logD: | 7.6307 |
| logSw: | -6.2289 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.716 |
| InChI Key: | BVOFGGJORYQCQB-PNOGMODKSA-N |