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

Formula:C21H13N4O2FS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-6-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[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-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C21H13N4O2FS2
Smiles	N=C(/C1=C\c2ccc(-c(cc3)ccc3F)o2)N2N=C(Cc3cccs3)SC2=NC1=O
InChI	InChI=1S/C21H13FN4O2S2/c22-13-5-3-12(4-6-13)17-8-7-14(28-17)10-16-19(23)26-21(24-20(16)27)30-18(25-26)11-15-2-1-9-29-15/h1-10,23H,11H2
InChIK	CXMSTJYKDWJTEE-UHFFFAOYSA-N
TotalMolweight	436.49
Molweight	436.49
MonoisotopicMass	436.046394
CLogP	2.9084
CLogS	-4.755
H Acceptors	6
H Donors	1
TotalSurfaceArea	308.02
Relative PSA	0.34793
PolarSurfaceArea	135.56
Druglikeness	5.0904
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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

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