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

Formula:C16H10N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-benzylidene-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-benzylidene-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C16H10N4O2S
Smiles	N=C(/C1=C/c2ccccc2)N2N=C(c3ccco3)SC2=NC1=O
InChI	InChI=1S/C16H10N4O2S/c17-13-11(9-10-5-2-1-3-6-10)14(21)18-16-20(13)19-15(23-16)12-7-4-8-22-12/h1-9,17H
InChIK	SNQBGNIYWVSTIT-UHFFFAOYSA-N
TotalMolweight	322.347
Molweight	322.347
MonoisotopicMass	322.052446
CLogP	2.1323
CLogS	-3.945
H Acceptors	6
H Donors	1
TotalSurfaceArea	232.21
Relative PSA	0.37384
PolarSurfaceArea	107.32
Druglikeness	4.7788
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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