(E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C20H16N3O3BrS2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C20H16N3O3BrS2
Smiles	O=C(COc(ccc1ccccc11)c1Br)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C20H16BrN3O3S2/c21-19-15-6-2-1-4-13(15)7-9-16(19)27-12-18(26)23-24-20(28)22-17(25)10-8-14-5-3-11-29-14/h1-11H,12H2,(H,23,26)(H2,22,24,25,28)
InChIK	UBDZXJHQJNUAOL-UHFFFAOYSA-N
TotalMolweight	490.401
Molweight	490.401
MonoisotopicMass	488.981643
CLogP	3.4903
CLogS	-6.455
H Acceptors	6
H Donors	3
TotalSurfaceArea	335.04
Relative PSA	0.35464
PolarSurfaceArea	139.79
Druglikeness	1.1331
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	1
StereoCon

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1 - (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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