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

Formula:C25H24N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H24N4O4S2
SmilesOC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC3OCCC3)=O)\SC1=S)C2=O)c1ccccc1
InChIInChI=1S/C25H24N4O4S2/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/h1-5,7-8,10-11,13,17,19,26,30H,6,9,12,14-15H2
InChIKZNGFGGUNGCIFEZ-UHFFFAOYSA-N
TotalMolweight508.622
Molweight508.622
MonoisotopicMass508.123896
CLogP0.3427
CLogS-5.024
H Acceptors8
H Donors2
TotalSurfaceArea370.77
Relative PSA0.33643
PolarSurfaceArea151.86
Druglikeness5.0546
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConunknown chirality

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