[3-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate

Formula:C21H12N4O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.

MolName	[3-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C21H12N4O3S3
Smiles	N=C(/C1=C/c2cc(OC(c3cccs3)=O)ccc2)N2N=C(c3cccs3)SC2=NC1=O
InChI	InChI=1S/C21H12N4O3S3/c22-17-14(18(26)23-21-25(17)24-19(31-21)15-6-2-8-29-15)11-12-4-1-5-13(10-12)28-20(27)16-7-3-9-30-16/h1-11,22H
InChIK	WQXCZGWUVMNQSR-UHFFFAOYSA-N
TotalMolweight	464.549
Molweight	464.549
MonoisotopicMass	464.007151
CLogP	4.1073
CLogS	-5.753
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.91
Relative PSA	0.42391
PolarSurfaceArea	176.96
Druglikeness	5.5688
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
BasicNitrogens	1
StereoCon

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1 - [3-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate | 2 - [3-[(Z)-(5-imino-7-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate

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