(E)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one

Formula:C23H21N4O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
MolecularFormula	C23H21N4O4F3
Smiles	O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1
InChI	InChI=1S/C23H21F3N4O4/c24-23(25,26)34-20-3-1-2-17(12-20)4-9-22(31)29-10-11-32-21(13-29)14-33-19-7-5-18(6-8-19)30-16-27-15-28-30/h1-9,12,15-16,21H,10-11,13-14H2/t21-/m1/s1
InChIK	HSOUFXFBEBNESC-OAQYLSRUSA-N
TotalMolweight	474.438
Molweight	474.438
MonoisotopicMass	474.15149
CLogP	3.1506
CLogS	-4.159
H Acceptors	8
TotalSurfaceArea	347.55
Relative PSA	0.21695
PolarSurfaceArea	78.71
Druglikeness	-3.2345
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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

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