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Propanamide, N-(4-ethylphenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-
化学名:Propanamide, N-(4-ethylphenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-
CAS番号.869356-20-7
英語名:Propanamide, N-(4-ethylphenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-
CBNumberCB511613216
MFC21H28N4O3S2
MW448.6
MOL File869356-20-7.mol
Propanamide, N-(4-ethylphenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-物理性質
比重(密度) | 1.32±0.1 g/cm3(Predicted) |
酸解離定数(Pka) | 13.46±0.70(Predicted) |
InChI | InChI=1S/C21H28N4O3S2/c1-4-17-5-7-18(8-6-17)23-21(26)16(2)29-20-10-9-19(15-22-20)30(27,28)25-13-11-24(3)12-14-25/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26) |
InChIKey | GXWZOQWYYLHQKV-UHFFFAOYSA-N |
SMILES | C(NC1=CC=C(CC)C=C1)(=O)C(SC1=NC=C(S(N2CCN(C)CC2)(=O)=O)C=C1)C |