442566-02-1
3-[(Z)-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Name3-[(Z)-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
pro_formulaC24 H25 N5 O4 S2
1Identification
【Name】
3-[(Z)-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD03293806
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H25 N5 O4 S2
【pro_molWeight】
511.625
【Inchi】
InChI=1S/C24H25N5O4S2/c1-16-4-2-6-28-20(16)25-21(27-9-7-26(8-10-27)11-12-30)18(22(28)31)14-19-23(32)29(24(34)35-19)15-17-5-3-13-33-17/h2-6,13-14,30H,7-12,15H2,1H3/b19-14-
【InChIKey】
InChIKey=XIIHZVPPXHBHEF-RGEXLXHISA-N
【SMILES】
Cc1cccn2c1nc(c(c2=O)/C=C\3/C(=O)N(C(=S)S3)Cc4ccco4)N5CCN(CC5)CCO
【MOL File】
3-[(Z)-[3-(2-FURYLME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[(Z)-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL]-2-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE.cml