(6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C22H18N4O2ClFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C22H18N4O2ClFS
Smiles	N=C(/C1=C/c2ccc(-c(cc3)cc(Cl)c3F)o2)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C22H18ClFN4O2S/c23-16-10-13(6-8-17(16)24)18-9-7-14(30-18)11-15-19(25)28-22(26-20(15)29)31-21(27-28)12-4-2-1-3-5-12/h6-12,25H,1-5H2
InChIK	PQUFWZAJFOQNOH-UHFFFAOYSA-N
TotalMolweight	456.928
Molweight	456.928
MonoisotopicMass	456.082301
CLogP	3.55
CLogS	-5.672
H Acceptors	6
H Donors	1
TotalSurfaceArea	321.78
Relative PSA	0.26978
PolarSurfaceArea	107.32
Druglikeness	-0.37598
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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