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

Formula:C28H18N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C28H18N3O2BrS
Smiles	N#C/C(/C(Nc1ncc(Cc2cccc3ccccc23)s1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C28H18BrN3O2S/c29-22-10-8-19(9-11-22)26-13-12-23(34-26)14-21(16-30)27(33)32-28-31-17-24(35-28)15-20-6-3-5-18-4-1-2-7-25(18)20/h1-14,17H,15H2,(H,31,32,33)
InChIK	BQGIXIONDOZDGU-UHFFFAOYSA-N
TotalMolweight	540.44
Molweight	540.44
MonoisotopicMass	539.030308
CLogP	7.3702
CLogS	-9.224
H Acceptors	5
H Donors	1
TotalSurfaceArea	379.55
Relative PSA	0.22
PolarSurfaceArea	107.16
Druglikeness	-1.2942
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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