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

Formula:C19H16N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide is a drug-like molecule.

MolName	N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
MolecularFormula	C19H16N4O4S
Smiles	N#Cc1c(NC(C(N/N=C\c(cc2)cc3c2OCO3)=O)=O)sc2c1CCCC2
InChI	InChI=1S/C19H16N4O4S/c20-8-13-12-3-1-2-4-16(12)28-19(13)22-17(24)18(25)23-21-9-11-5-6-14-15(7-11)27-10-26-14/h5-7,9H,1-4,10H2,(H,22,24)(H,23,25)
InChIK	MDBDIAVIKROLND-UHFFFAOYSA-N
TotalMolweight	396.426
Molweight	396.426
MonoisotopicMass	396.089226
CLogP	3.3039
CLogS	-6.261
H Acceptors	8
H Donors	2
TotalSurfaceArea	295.65
Relative PSA	0.38705
PolarSurfaceArea	141.05
Druglikeness	-4.3956
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	1
StereoCon

Click to Load Molecule:

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

Request More Details | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments