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(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H17N4O3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(furan-2-ylmethylamino)-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-[(2-chlorophenyl)methyl]-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC24H17N4O3ClS2
SmilesO=C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)N(Cc(cccc2)c2Cl)C1=S
InChIInChI=1S/C24H17ClN4O3S2/c25-18-8-2-1-6-15(18)14-29-23(31)19(34-24(29)33)12-17-21(26-13-16-7-5-11-32-16)27-20-9-3-4-10-28(20)22(17)30/h1-12,26H,13-14H2
InChIKNTEGKXVYSHHXKB-UHFFFAOYSA-N
TotalMolweight509.009
Molweight509.009
MonoisotopicMass508.043058
CLogP1.8957
CLogS-6.516
H Acceptors7
H Donors1
TotalSurfaceArea366.51
Relative PSA0.31582
PolarSurfaceArea135.54
Druglikeness5.3916
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms4
Amides2
BasicNitrogens1
StereoCon

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