Elzasonan citrate
HIT212715928
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HIT ID: HIT212715928
Cas No: 361343-20-6
分子式: C28H31Cl2N3O8S
分子量: 640.53
常用名: Elzasonan citrate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 4.5483627
IUPAC: (2Z)-4-(3,4-dichlorophenyl)-2-{[2-(4-methylpiperazin-1-yl)phenyl]methylidene}thiomorpholin-3-one; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC: (2Z)-4-(3,4-dichlorophenyl)-2-{[2-(4-methylpiperazin-1-yl)phenyl]methylidene}thiomorpholin-3-one; 2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1CCN(CC1)c1ccccc1\C=C1/SCCN(C1=O)c1ccc(Cl)c(Cl)c1
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1CCN(CC1)c1ccccc1\C=C1/SCCN(C1=O)c1ccc(Cl)c(Cl)c1
InChI key: FIXQLYVNGQBUAP-UXTSPRGOSA-N
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