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(5Z)-3-(furan-2-ylmethyl)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C25H20N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(furan-2-ylmethyl)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-3-(furan-2-ylmethyl)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H20N4O4S2
SmilesOC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc3ccco3)=O)\SC1=S)C2=O)c1ccccc1
InChIInChI=1S/C25H20N4O4S2/c30-19(16-7-2-1-3-8-16)14-26-22-18(23(31)28-11-5-4-10-21(28)27-22)13-20-24(32)29(25(34)35-20)15-17-9-6-12-33-17/h1-13,19,26,30H,14-15H2/t19-/m0/s1
InChIKNSENLBKHVGWLHW-IBGZPJMESA-N
TotalMolweight504.59
Molweight504.59
MonoisotopicMass504.092596
CLogP0.6497
CLogS-5.344
H Acceptors8
H Donors2
TotalSurfaceArea369.94
Relative PSA0.3483
PolarSurfaceArea155.77
Druglikeness6.5624
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms6
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConracemate

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