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

Formula:C19H20N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC19H20N4O4S2
SmilesOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC3OCCC3)=O)\SC1=S)C2=O
InChIInChI=1S/C19H20N4O4S2/c24-8-6-20-16-13(17(25)22-7-2-1-5-15(22)21-16)10-14-18(26)23(19(28)29-14)11-12-4-3-9-27-12/h1-2,5,7,10,12,20,24H,3-4,6,8-9,11H2/t12-/m1/s1
InChIKDRUHQMYZWGLOLY-GFCCVEGCSA-N
TotalMolweight432.524
Molweight432.524
MonoisotopicMass432.092596
CLogP-0.9558
CLogS-3.93
H Acceptors8
H Donors2
TotalSurfaceArea312.27
Relative PSA0.39946
PolarSurfaceArea151.86
Druglikeness4.317
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48276
Fragments1
Non HAtoms29
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures4
Small Rings4
Sp3Atoms11
Amides2
BasicNitrogens1
StereoConracemate

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