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

Formula:C23H15N4O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H15N4O3FS
Smiles	N=C(/C1=C\c2ccc(-c(cc3)ccc3F)o2)N2N=C(COc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C23H15FN4O3S/c24-15-8-6-14(7-9-15)19-11-10-17(31-19)12-18-21(25)28-23(26-22(18)29)32-20(27-28)13-30-16-4-2-1-3-5-16/h1-12,25H,13H2
InChIK	VQLYWNIUWOAHKZ-UHFFFAOYSA-N
TotalMolweight	446.461
Molweight	446.461
MonoisotopicMass	446.084889
CLogP	2.6186
CLogS	-4.56
H Acceptors	7
H Donors	1
TotalSurfaceArea	322.08
Relative PSA	0.30058
PolarSurfaceArea	116.55
Druglikeness	4.3923
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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

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