N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide

Formula:C21H16N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide is a drug-like molecule.

MolName	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide
MolecularFormula	C21H16N4O4S
Smiles	N#Cc1c(NC(C(N/N=C\C2=COc(cccc3)c3C2=O)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C21H16N4O4S/c22-9-15-13-5-2-4-8-17(13)30-21(15)24-19(27)20(28)25-23-10-12-11-29-16-7-3-1-6-14(16)18(12)26/h1,3,6-7,10-11H,2,4-5,8H2,(H,24,27)(H,25,28)
InChIK	FAQLPEQNORJKNZ-UHFFFAOYSA-N
TotalMolweight	420.448
Molweight	420.448
MonoisotopicMass	420.089226
CLogP	2.3099
CLogS	-6.1
H Acceptors	8
H Donors	2
TotalSurfaceArea	314.35
Relative PSA	0.37369
PolarSurfaceArea	148.89
Druglikeness	-4.1924
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
StereoCon

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1 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide | 2 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-(4-oxochromen-3-yl)methylideneamino]oxamide

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