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(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H24N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC22H24N4O3S2
SmilesO=C(/C(/S1)=C/C2=C(N3CCCCC3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C22H24N4O3S2/c27-20-16(13-17-21(28)26(22(30)31-17)14-15-7-6-12-29-15)19(24-9-3-1-4-10-24)23-18-8-2-5-11-25(18)20/h2,5,8,11,13,15H,1,3-4,6-7,9-10,12,14H2/t15-/m1/s1
InChIKQSLQJNQOONXVBD-OAHLLOKOSA-N
TotalMolweight456.59
Molweight456.59
MonoisotopicMass456.128981
CLogP0.9641
CLogS-4.731
H Acceptors7
TotalSurfaceArea332.54
Relative PSA0.31193
PolarSurfaceArea122.84
Druglikeness3.4462
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.45161
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond4
Rings Closures5
Small Rings5
Sp3Atoms13
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConracemate

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