57801-97-5
| Name | 2-bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine |
| CAS | 57801-97-5 |
| Molecular Formula | C14H8BrClN4S |
| Molecular Weight | 379.66 |
| MOL File | 57801-97-5.mol |
Chemical Properties
| Melting point | 216-218 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 544.3±60.0 °C(Predicted) |
| density | 1.84±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 1.63±0.40(Predicted) |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C14H8BrClN4S/c15-11-5-9-13(8-3-1-2-4-10(8)16)17-6-12-19-18-7-20(12)14(9)21-11/h1-5,7H,6H2 |
| InChIKey | JTELAICMLYYCCL-UHFFFAOYSA-N |
| SMILES | [s]1c2c(cc1Br)C(=NCc4[n]2cnn4)c3c(cccc3)Cl |