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

Formula:C29H17N2O4Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C29H17N2O4Cl3S
Smiles	O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)NC(Nc(cc1)cc(Cl)c1C1=Cc(cccc2)c2OC1=O)=S
InChI	InChI=1S/C29H17Cl3N2O4S/c30-17-5-9-21(23(31)14-17)26-11-7-19(37-26)8-12-27(35)34-29(39)33-18-6-10-20(24(32)15-18)22-13-16-3-1-2-4-25(16)38-28(22)36/h1-15H,(H2,33,34,35,39)
InChIK	YFUFNFMKUKNUKM-UHFFFAOYSA-N
TotalMolweight	595.889
Molweight	595.889
MonoisotopicMass	593.997459
CLogP	7.1686
CLogS	-9.422
H Acceptors	6
H Donors	2
TotalSurfaceArea	427.33
Relative PSA	0.23661
PolarSurfaceArea	112.66
Druglikeness	1.5452
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Amides	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments