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

Formula:C22H20N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName(5Z)-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC22H20N4O3S2
SmilesOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CCc3ccccc3)=O)\SC1=S)C2=O
InChIInChI=1S/C22H20N4O3S2/c27-13-10-23-19-16(20(28)25-11-5-4-8-18(25)24-19)14-17-21(29)26(22(30)31-17)12-9-15-6-2-1-3-7-15/h1-8,11,14,23,27H,9-10,12-13H2
InChIKFIGDCTQPYAAZID-UHFFFAOYSA-N
TotalMolweight452.558
Molweight452.558
MonoisotopicMass452.097681
CLogP0.5926
CLogS-4.68
H Acceptors7
H Donors2
TotalSurfaceArea335.51
Relative PSA0.34199
PolarSurfaceArea142.63
Druglikeness5.8053
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms2
Amides2
BasicNitrogens1
StereoCon

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