HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-[[1-[(2,4-Dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylene}-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
![5-[[1-[(2,4-Dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione molecular structure](/img/chemical/178819839.png)
Identifiers & Physical Properties
| CAS No. | 354560-94-4 |
|---|---|
| Molecular formula | C32H21Cl2N3O2S |
| Average molar mass | 582.5 g/mol |
| SMILES | O=C1C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 |
| InChIKey | RZWVJHJUTWSBDN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 8 |
|---|---|
| Topological polar surface area | 77.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 40 |
| Formal charge | 0 |
| Complexity | 953 |