1135243-19-4
| Name | N-[3-Oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| CAS | 1135243-19-4 |
| Molecular Formula | C18H20N6O3S2 |
| MDL Number | MFCD16875440 |
| Molecular Weight | 432.52 |
| MOL File | 1135243-19-4.mol |
Chemical Properties
| Melting point | 159.7-160.2 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3)) |
| Boiling point | 689.3±65.0 °C(Predicted) |
| density | 1.447±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO: >5mg/mL |
| form | powder |
| pka | 8.97±0.50(Predicted) |
| color | yellow |
| InChI | 1S/C18H20N6O3S2.H2O/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15;/h1-5,7-8,20H,6,9-13H2;1H2 |
| InChIKey | NURHGMDBQMBSQI-UHFFFAOYSA-N |
| SMILES | O.O=C(CCNS(=O)(=O)c1cccc2nsnc12)N3CCN(CC3)c4ccncc4 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |