HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione · 1H-Pyrido[3',2':4,5]thieno[3,2-e]-1,4-diazepine-2,5-dione, 4-(3-chlorophenyl)-3,4-dihydro-8,10-dimethyl-
![4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione molecular structure](/img/chemical/178819836.png)
Identifiers & Physical Properties
| CAS No. | 866735-38-8 |
|---|---|
| Molecular formula | C18H14ClN3O2S |
| Average molar mass | 371.8 g/mol |
| SMILES | Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1cccc(Cl)c1)CC(=O)N3 |
| InChIKey | KFVNZCJRCKXOKC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 90.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 562 |
| Boiling point | 642.3±55.0 °C(Predicted) |
| Density | 1.432±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.87±0.20(Predicted) |