(E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C24H14N3O2Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C24H14N3O2Cl3S
Smiles	N#C/C(/C(Nc1ncc(Cc2cc(Cl)ccc2)s1)=O)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C24H14Cl3N3O2S/c25-17-3-1-2-14(8-17)9-19-13-29-24(33-19)30-23(31)16(12-28)10-18-5-7-22(32-18)15-4-6-20(26)21(27)11-15/h1-8,10-11,13H,9H2,(H,29,30,31)
InChIK	WTGQXSJOSICQTE-UHFFFAOYSA-N
TotalMolweight	514.819
Molweight	514.819
MonoisotopicMass	512.987228
CLogP	7.2686
CLogS	-8.992
H Acceptors	5
H Donors	1
TotalSurfaceArea	372.58
Relative PSA	0.22411
PolarSurfaceArea	107.16
Druglikeness	0.5528
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enamide

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