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(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C26H24N5O4FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-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-(1,1-dioxothiolan-3-yl)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC26H24N5O4FS3
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)CCN3c(cc3)ccc3F)N=C(C=CC=C3)N3C2=O)N(C(CC2)CS2(=O)=O)C1=S
InChIInChI=1S/C26H24FN5O4S3/c27-17-4-6-18(7-5-17)29-10-12-30(13-11-29)23-20(24(33)31-9-2-1-3-22(31)28-23)15-21-25(34)32(26(37)38-21)19-8-14-39(35,36)16-19/h1-7,9,15,19H,8,10-14,16H2/t19-/m1/s1
InChIKVLOSGYIYJKAFHQ-LJQANCHMSA-N
TotalMolweight585.704
Molweight585.704
MonoisotopicMass585.097443
CLogP0.5694
CLogS-5.362
H Acceptors9
TotalSurfaceArea400.01
Relative PSA0.31464
PolarSurfaceArea159.37
Druglikeness3.1754
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48718
Fragments1
Non HAtoms39
NonCHAtoms13
Electronegative Atoms13
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Symmetricatoms5
Amides2
Amines1
Aromatic Amines1
BasicNitrogens1
StereoConracemate

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