N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide

Formula:C24H20N4O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide is not a drug-like molecule.

MolName	N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
MolecularFormula	C24H20N4O3Cl2S
Smiles	O=C(CCC(NNC(NC(/C=C/c1cccc2ccccc12)=O)=S)=O)Nc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C24H20Cl2N4O3S/c25-17-9-10-20(19(26)14-17)27-21(31)12-13-23(33)29-30-24(34)28-22(32)11-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,14H,12-13H2,(H,27,31)(H,29,33)(H2,28,30,32,34)
InChIK	RXDSXDQIMWDNQJ-UHFFFAOYSA-N
TotalMolweight	515.42
Molweight	515.42
MonoisotopicMass	514.063315
CLogP	4.3867
CLogS	-7.647
H Acceptors	7
H Donors	4
TotalSurfaceArea	384.28
Relative PSA	0.29395
PolarSurfaceArea	131.42
Druglikeness	0.15653
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Amides	2
StereoCon

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1 - N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide | 2 - N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide

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