InChIKey | QMBHWDKXYBCZDQ-SFHVURJKSA-N |
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Inchi | 1S/C24H28N6O6/c1-24(2)29-22(25)28-23(26)30(24)16-5-3-4-14(12-16)13-36-17-8-6-15(7-9-17)20(33)27-18(21(34)35)10-11-19(31)32/h3-9,12,18H,10-11,13H2,1-2H3,(H,27,33)(H,31,32)(H,34,35)(H4,25,26,28,29)/t18-/m0/s1 |
SMILES | C(O)(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(OCC2=CC=CC(N3C(N)=NC(N)=NC3(C)C)=C2)C=C1 |
PSA | 192.93 |
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酸度系数(pKa) | 3.42±0.10(Predicted) |
密度 | 1.42±0.1 g/cm3(Predicted) |
精确分子量 | 496.20724 |
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