(E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Formula:C29H18N2O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C29H18N2O4Cl2S
Smiles	O=C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)NC(Nc(cc1)cc(Cl)c1C1=Cc(cccc2)c2OC1=O)=S
InChI	InChI=1S/C29H18Cl2N2O4S/c30-19-7-5-17(6-8-19)26-13-10-21(36-26)11-14-27(34)33-29(38)32-20-9-12-22(24(31)16-20)23-15-18-3-1-2-4-25(18)37-28(23)35/h1-16H,(H2,32,33,34,38)
InChIK	ZSYQIDZOPPNMQZ-UHFFFAOYSA-N
TotalMolweight	561.444
Molweight	561.444
MonoisotopicMass	560.036432
CLogP	6.5626
CLogS	-8.686
H Acceptors	6
H Donors	2
TotalSurfaceArea	411.91
Relative PSA	0.24547
PolarSurfaceArea	112.66
Druglikeness	1.5452
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.63158
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

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