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

Formula:C26H19N4O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H19N4O3FS
Smiles	N=C(/C1=C/c(cc2)ccc2OCc(cc2)ccc2F)N2N=C(COc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C26H19FN4O3S/c27-19-10-6-18(7-11-19)15-33-21-12-8-17(9-13-21)14-22-24(28)31-26(29-25(22)32)35-23(30-31)16-34-20-4-2-1-3-5-20/h1-14,28H,15-16H2
InChIK	RYVZGRCRJWADSS-UHFFFAOYSA-N
TotalMolweight	486.526
Molweight	486.526
MonoisotopicMass	486.116189
CLogP	3.0278
CLogS	-4.441
H Acceptors	7
H Donors	1
TotalSurfaceArea	356.15
Relative PSA	0.26028
PolarSurfaceArea	112.64
Druglikeness	3.5311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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

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