(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide

Formula:C24H15N3OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
MolecularFormula	C24H15N3OCl2S
Smiles	N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1cccc2ccccc12
InChI	InChI=1S/C24H15Cl2N3OS/c25-19-8-9-22(26)17(11-19)12-20-14-28-24(31-20)29-23(30)18(13-27)10-16-6-3-5-15-4-1-2-7-21(15)16/h1-11,14H,12H2,(H,28,29,30)
InChIK	NAUHCQBMILOAHE-UHFFFAOYSA-N
TotalMolweight	464.375
Molweight	464.375
MonoisotopicMass	463.031286
CLogP	6.9181
CLogS	-8.402
H Acceptors	4
H Donors	1
TotalSurfaceArea	342.31
Relative PSA	0.20271
PolarSurfaceArea	94.02
Druglikeness	-0.36239
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide | 2 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide

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