(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Formula:C17H14N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
MolecularFormula	C17H14N2O2Cl2S
Smiles	COc(ccc(NC(NC(/C=C/c(cc1)ccc1Cl)=O)=S)c1)c1Cl
InChI	InChI=1S/C17H14Cl2N2O2S/c1-23-15-8-7-13(10-14(15)19)20-17(24)21-16(22)9-4-11-2-5-12(18)6-3-11/h2-10H,1H3,(H2,20,21,22,24)/b9-4+
InChIK	BVELROMQNGKZPC-RUDMXATFSA-N
TotalMolweight	381.282
Molweight	381.282
MonoisotopicMass	380.015302
CLogP	4.4607
CLogS	-5.533
H Acceptors	4
H Donors	2
TotalSurfaceArea	286
Relative PSA	0.2586
PolarSurfaceArea	82.45
Druglikeness	-0.35181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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