(E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C25H17N3O3F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C25H17N3O3F4
Smiles	N#C/C(/C(Nc1cc(C(F)(F)F)ccc1)=O)=C\c1cccc(OCC(Nc(cc2)ccc2F)=O)c1
InChI	InChI=1S/C25H17F4N3O3/c26-19-7-9-20(10-8-19)31-23(33)15-35-22-6-1-3-16(12-22)11-17(14-30)24(34)32-21-5-2-4-18(13-21)25(27,28)29/h1-13H,15H2,(H,31,33)(H,32,34)
InChIK	QLZOZQZBDVQDNW-UHFFFAOYSA-N
TotalMolweight	483.42
Molweight	483.42
MonoisotopicMass	483.120604
CLogP	4.6598
CLogS	-6.154
H Acceptors	6
H Donors	2
TotalSurfaceArea	357.19
Relative PSA	0.20314
PolarSurfaceArea	91.22
Druglikeness	-8.9654
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Request More Details | (E)-2-cyano-3-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments