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

Formula:C28H17N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C28H17N3O2Cl2S
Smiles	N#C/C(/C(Nc1ncc(Cc2cccc3ccccc23)s1)=O)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C28H17Cl2N3O2S/c29-24-10-8-19(14-25(24)30)26-11-9-21(35-26)12-20(15-31)27(34)33-28-32-16-22(36-28)13-18-6-3-5-17-4-1-2-7-23(17)18/h1-12,14,16H,13H2,(H,32,33,34)
InChIK	VUCVBKFPJSBFRK-UHFFFAOYSA-N
TotalMolweight	530.434
Molweight	530.434
MonoisotopicMass	529.041851
CLogP	7.857
CLogS	-9.862
H Acceptors	5
H Donors	1
TotalSurfaceArea	391.76
Relative PSA	0.21314
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	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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