Chemical Properties | Back Directory |
[Boiling point ]
601.4±65.0 °C(Predicted) |
[density ]
1.39 |
[solubility ]
DMF: 3 mg/ml; DMSO: 3 mg/ml; Ethanol: 5 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml |
[form ]
A neat solid |
[pka]
-0.80±0.20(Predicted) |
[InChI]
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2 |
[InChIKey]
BKRSVROQVRTSND-UHFFFAOYSA-N |
[SMILES]
C1(S(N=C2CCCCN2CCC2=CC=C([N+]([O-])=O)C=C2)(=O)=O)=CC=C(Cl)C=C1 |