2083630-26-4
| Name | PS-432 |
| CAS | 2083630-26-4 |
| Molecular Formula | C25H19ClN2O5S |
| MDL Number | MFCD31579823 |
| Molecular Weight | 494.95 |
| MOL File | 2083630-26-4.mol |
Chemical Properties
| Boiling point | 662.5±65.0 °C(Predicted) |
| density | 1.463±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: 2mg/mL, clear |
| form | Solid |
| pka | 4.50±1.00(Predicted) |
| color | White to off-white |
| InChI | InChI=1S/C25H19ClN2O5S/c1-3-32-24(31)20-21(18-11-10-17(33-18)14-5-7-15(26)8-6-14)28(23(30)22(20)29)25-27-16-9-4-13(2)12-19(16)34-25/h4-12,21,29H,3H2,1-2H3 |
| InChIKey | NBZPOMWJBSLLCT-UHFFFAOYSA-N |
| SMILES | N1(C2=NC3=CC=C(C)C=C3S2)C(=O)C(O)=C(C(OCC)=O)C1C1=CC=C(C2=CC=C(Cl)C=C2)O1 |