(E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide

Formula:C22H17N3O3BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
MolecularFormula	C22H17N3O3BrClS
Smiles	O=C(COc(ccc(Br)c1)c1Cl)NNC(NC(/C=C/c1cccc2ccccc12)=O)=S
InChI	InChI=1S/C22H17BrClN3O3S/c23-16-9-10-19(18(24)12-16)30-13-21(29)26-27-22(31)25-20(28)11-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,26,29)(H2,25,27,28,31)
InChIK	RTMQNIHBSHLYHO-UHFFFAOYSA-N
TotalMolweight	518.818
Molweight	518.818
MonoisotopicMass	516.98625
CLogP	4.2297
CLogS	-7.181
H Acceptors	6
H Donors	3
TotalSurfaceArea	354.52
Relative PSA	0.27773
PolarSurfaceArea	111.55
Druglikeness	-0.5966
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Amides	1
StereoCon

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1 - (E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide

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