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

Formula:C24H13N3O2Cl4S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C24H13N3O2Cl4S
Smiles	N#C/C(/C(Nc1ncc(Cc(cc2)cc(Cl)c2Cl)s1)=O)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C24H13Cl4N3O2S/c25-15-2-5-19(26)18(10-15)22-6-3-16(33-22)9-14(11-29)23(32)31-24-30-12-17(34-24)7-13-1-4-20(27)21(28)8-13/h1-6,8-10,12H,7H2,(H,30,31,32)
InChIK	CCOMWCPWALCUPD-UHFFFAOYSA-N
TotalMolweight	549.264
Molweight	549.264
MonoisotopicMass	546.948255
CLogP	7.8746
CLogS	-9.728
H Acceptors	5
H Donors	1
TotalSurfaceArea	388
Relative PSA	0.21521
PolarSurfaceArea	107.16
Druglikeness	0.5528
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

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