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

Formula:C22H19N4O2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-2-cyclohexyl-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-cyclohexyl-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C22H19N4O2FS
Smiles	N=C(/C1=C/c2ccc(-c(cc3)ccc3F)o2)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C22H19FN4O2S/c23-15-8-6-13(7-9-15)18-11-10-16(29-18)12-17-19(24)27-22(25-20(17)28)30-21(26-27)14-4-2-1-3-5-14/h6-12,14,24H,1-5H2
InChIK	VABADDBYLINLQW-UHFFFAOYSA-N
TotalMolweight	422.483
Molweight	422.483
MonoisotopicMass	422.121274
CLogP	2.944
CLogS	-4.936
H Acceptors	6
H Donors	1
TotalSurfaceArea	306.36
Relative PSA	0.28336
PolarSurfaceArea	107.32
Druglikeness	-0.42304
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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

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