(6Z)-2-benzyl-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C26H19N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-benzyl-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-benzyl-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H19N4O2FS
Smiles	N=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2F)N2N=C(Cc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C26H19FN4O2S/c27-20-10-6-19(7-11-20)16-33-21-12-8-18(9-13-21)14-22-24(28)31-26(29-25(22)32)34-23(30-31)15-17-4-2-1-3-5-17/h1-14,28H,15-16H2
InChIK	YPXJMIHVVYFABF-UHFFFAOYSA-N
TotalMolweight	470.527
Molweight	470.527
MonoisotopicMass	470.121274
CLogP	3.451
CLogS	-4.626
H Acceptors	6
H Donors	1
TotalSurfaceArea	346.15
Relative PSA	0.23891
PolarSurfaceArea	103.41
Druglikeness	3.6736
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (6Z)-2-benzyl-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-benzyl-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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