(E)-2-cyano-3-naphthalen-1-yl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide

Formula:C25H16N3OF3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-naphthalen-1-yl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-naphthalen-1-yl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C25H16N3OF3S
Smiles	N#C/C(/C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2)s1)=O)=C\c1cccc2ccccc12
InChI	InChI=1S/C25H16F3N3OS/c26-25(27,28)20-9-3-5-16(11-20)12-21-15-30-24(33-21)31-23(32)19(14-29)13-18-8-4-7-17-6-1-2-10-22(17)18/h1-11,13,15H,12H2,(H,30,31,32)
InChIK	XWZOAYSYPVTQLT-UHFFFAOYSA-N
TotalMolweight	463.482
Molweight	463.482
MonoisotopicMass	463.096616
CLogP	6.5544
CLogS	-7.708
H Acceptors	4
H Donors	1
TotalSurfaceArea	340.93
Relative PSA	0.20353
PolarSurfaceArea	94.02
Druglikeness	-7.6078
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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