(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Formula:C22H17N4O3F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H17N4O3F5
Smiles	O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1
InChI	InChI=1S/C22H17F5N4O3/c23-18-16(19(24)21(26)22(27)20(18)25)5-6-17(32)30-7-8-33-15(9-30)10-34-14-3-1-13(2-4-14)31-12-28-11-29-31/h1-6,11-12,15H,7-10H2/t15-/m1/s1
InChIK	LDYXCGUBKXFESX-OAHLLOKOSA-N
TotalMolweight	480.392
Molweight	480.392
MonoisotopicMass	480.122081
CLogP	2.5556
CLogS	-4.706
H Acceptors	7
TotalSurfaceArea	339.84
Relative PSA	0.19244
PolarSurfaceArea	69.48
Druglikeness	3.4255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Request More Details | (E)-3-(2,3,4,5,6-pentafluorophenyl)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments