505079-09-4
3-((5Z)-5-[[2-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
Name3-((5Z)-5-[[2-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
pro_formulaC22 H25 N5 O4 S2
1Identification
【Name】
3-((5Z)-5-[[2-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD03724113
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H25 N5 O4 S2
【pro_molWeight】
487.603
【Inchi】
InChI=1S/C22H25N5O4S2/c1-3-24-9-11-25(12-10-24)19-15(20(30)26-7-4-5-14(2)18(26)23-19)13-16-21(31)27(22(32)33-16)8-6-17(28)29/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,28,29)/b16-13-
【InChIKey】
InChIKey=LGUFMPQNTXHJKA-SSZFMOIBSA-N
【SMILES】
CCN1CCN(CC1)c2c(c(=O)n3cccc(c3n2)C)/C=C\4/C(=O)N(C(=S)S4)CCC(=O)O
【MOL File】
3-((5Z)-5-[[2-(4-ETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-((5Z)-5-[[2-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID.cml