N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide

Formula:C20H18N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.

MolName	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
MolecularFormula	C20H18N4O2S
Smiles	N#Cc1c(NC(C(N/N=C\C=C\c2ccccc2)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C20H18N4O2S/c21-13-16-15-10-4-5-11-17(15)27-20(16)23-18(25)19(26)24-22-12-6-9-14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11H2,(H,23,25)(H,24,26)
InChIK	XHNBEIDAXZUYBN-UHFFFAOYSA-N
TotalMolweight	378.455
Molweight	378.455
MonoisotopicMass	378.115046
CLogP	3.2108
CLogS	-5.842
H Acceptors	6
H Donors	2
TotalSurfaceArea	301.89
Relative PSA	0.3128
PolarSurfaceArea	122.59
Druglikeness	-4.2858
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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