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

Formula:C27H21N4O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H21N4O3FS2
SmilesOC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1Cc(cc3)ccc3F)=O)\SC1=S)C2=O)c1ccccc1
InChIInChI=1S/C27H21FN4O3S2/c28-19-11-9-17(10-12-19)16-32-26(35)22(37-27(32)36)14-20-24(29-15-21(33)18-6-2-1-3-7-18)30-23-8-4-5-13-31(23)25(20)34/h1-14,21,29,33H,15-16H2/t21-/m0/s1
InChIKVICBLXCSBYIUPT-NRFANRHFSA-N
TotalMolweight532.619
Molweight532.619
MonoisotopicMass532.103909
CLogP1.5618
CLogS-5.976
H Acceptors7
H Donors2
TotalSurfaceArea386.6
Relative PSA0.29679
PolarSurfaceArea142.63
Druglikeness5.4146
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.51351
Fragments1
Non HAtoms37
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms4
Amides2
BasicNitrogens1
StereoConracemate

Request More Details | (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one


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