(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide

Formula:C18H15N3O2Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
MolecularFormula	C18H15N3O2Cl2S
Smiles	Cc1ccc(/C=C/C(NC(NNC(c(ccc(Cl)c2)c2Cl)=O)=S)=O)cc1
InChI	InChI=1S/C18H15Cl2N3O2S/c1-11-2-4-12(5-3-11)6-9-16(24)21-18(26)23-22-17(25)14-8-7-13(19)10-15(14)20/h2-10H,1H3,(H,22,25)(H2,21,23,24,26)
InChIK	GIINGMWYAPMGGB-UHFFFAOYSA-N
TotalMolweight	408.308
Molweight	408.308
MonoisotopicMass	407.026201
CLogP	3.6851
CLogS	-6.041
H Acceptors	5
H Donors	3
TotalSurfaceArea	305.21
Relative PSA	0.28983
PolarSurfaceArea	102.32
Druglikeness	1.1166
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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