N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide

Formula:C21H15N3O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
MolecularFormula	C21H15N3O3Cl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(Nc1cc(NC(c2ccco2)=O)ccc1)=S
InChI	InChI=1S/C21H15Cl2N3O3S/c22-14-8-6-13(17(23)11-14)7-9-19(27)26-21(30)25-16-4-1-3-15(12-16)24-20(28)18-5-2-10-29-18/h1-12H,(H,24,28)(H2,25,26,27,30)
InChIK	YDHYICIEXLMNGL-UHFFFAOYSA-N
TotalMolweight	460.34
Molweight	460.34
MonoisotopicMass	459.021116
CLogP	4.8669
CLogS	-6.709
H Acceptors	6
H Donors	3
TotalSurfaceArea	342.4
Relative PSA	0.29956
PolarSurfaceArea	115.46
Druglikeness	0.14706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	2
StereoCon

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