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

Formula:C20H22N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(3-hydroxypropylamino)-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-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC20H22N4O4S2
SmilesOCCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC3OCCC3)=O)\SC1=S)C2=O
InChIInChI=1S/C20H22N4O4S2/c25-9-4-7-21-17-14(18(26)23-8-2-1-6-16(23)22-17)11-15-19(27)24(20(29)30-15)12-13-5-3-10-28-13/h1-2,6,8,11,13,21,25H,3-5,7,9-10,12H2/t13-/m1/s1
InChIKOBJDIMNXAGQZBT-CYBMUJFWSA-N
TotalMolweight446.551
Molweight446.551
MonoisotopicMass446.108246
CLogP-0.5014
CLogS-4.2
H Acceptors8
H Donors2
TotalSurfaceArea326.03
Relative PSA0.3826
PolarSurfaceArea151.86
Druglikeness2.6141
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures4
Small Rings4
Sp3Atoms12
Amides2
BasicNitrogens1
StereoConracemate

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