4-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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: | 8017-8878 |
| Compound Name: | 4-(3,4-dichlorophenyl)-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: | 577.37 |
| Molecular Formula: | C25 H23 Cl2 N5 S |
| Salt: | HBr |
| Smiles: | C=CCN1C(=CSC/1=N/c1ccc(cc1)c1nnc2CCCCCn12)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6064 |
| logD: | 6.606 |
| logSw: | -6.8597 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.577 |
| InChI Key: | GLDSSGQEGMGRDY-FVDSYPCUSA-N |