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(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H21N4O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC24H21N4O3FS2
SmilesO=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)ccc2F)C1=S
InChIInChI=1S/C24H21FN4O3S2/c25-16-8-6-15(7-9-16)14-29-23(31)19(34-24(29)33)12-18-21(26-13-17-4-3-11-32-17)27-20-5-1-2-10-28(20)22(18)30/h1-2,5-10,12,17,26H,3-4,11,13-14H2/t17-/m1/s1
InChIKKTGFNUFZXQWMOL-QGZVFWFLSA-N
TotalMolweight496.586
Molweight496.586
MonoisotopicMass496.103909
CLogP1.0835
CLogS-5.774
H Acceptors7
H Donors1
TotalSurfaceArea358.27
Relative PSA0.31161
PolarSurfaceArea131.63
Druglikeness2.8598
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms9
Symmetricatoms2
Amides2
BasicNitrogens1
StereoConracemate

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