(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C28H18N2O2ClF3 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C28H18N2O2ClF3
Smiles	N#C/C(/C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=C\c1cc(OCc2cccc3ccccc23)ccc1
InChI	InChI=1S/C28H18ClF3N2O2/c29-25-12-11-22(28(30,31)32)15-26(25)34-27(35)21(16-33)13-18-5-3-9-23(14-18)36-17-20-8-4-7-19-6-1-2-10-24(19)20/h1-15H,17H2,(H,34,35)
InChIK	ZXFYXHFTMQTVEO-UHFFFAOYSA-N
TotalMolweight	506.91
Molweight	506.91
MonoisotopicMass	506.100889
CLogP	6.9851
CLogS	-8.231
H Acceptors	4
H Donors	1
TotalSurfaceArea	371.65
Relative PSA	0.12932
PolarSurfaceArea	62.12
Druglikeness	-9.1028
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide | 2 - (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Request More Details | (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments