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

Formula:C17H12N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (6Z)-2-benzyl-6-(furan-2-ylmethylidene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-benzyl-6-(furan-2-ylmethylidene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C17H12N4O2S
Smiles	N=C(/C1=C/c2ccco2)N2N=C(Cc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C17H12N4O2S/c18-15-13(10-12-7-4-8-23-12)16(22)19-17-21(15)20-14(24-17)9-11-5-2-1-3-6-11/h1-8,10,18H,9H2
InChIK	WLXZQPGTTPHMJH-UHFFFAOYSA-N
TotalMolweight	336.374
Molweight	336.374
MonoisotopicMass	336.068096
CLogP	1.1908
CLogS	-2.653
H Acceptors	6
H Donors	1
TotalSurfaceArea	245.97
Relative PSA	0.35293
PolarSurfaceArea	107.32
Druglikeness	4.937
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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