(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide

Formula:C26H17N4O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide
MolecularFormula	C26H17N4O2Cl2F
Smiles	N#C/C(/C(Nc1cccc(Cl)c1Cl)=O)=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2
InChI	InChI=1S/C26H17Cl2FN4O2/c27-21-5-3-6-22(25(21)28)32-26(35)16(13-30)12-17-14-33(23-7-2-1-4-20(17)23)15-24(34)31-19-10-8-18(29)9-11-19/h1-12,14H,15H2,(H,31,34)(H,32,35)
InChIK	XUYBTIWOPKUKSO-UHFFFAOYSA-N
TotalMolweight	507.351
Molweight	507.351
MonoisotopicMass	506.071258
CLogP	5.1154
CLogS	-6.723
H Acceptors	6
H Donors	2
TotalSurfaceArea	372.37
Relative PSA	0.18645
PolarSurfaceArea	86.92
Druglikeness	-1.0963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide

Request More Details | (E)-2-cyano-N-(2,3-dichlorophenyl)-3-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments