(3Z)-3-benzylidene-N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide

Formula:C26H24N2O4ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-benzylidene-N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide is not a drug-like molecule.

MolName	(3Z)-3-benzylidene-N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide
MolecularFormula	C26H24N2O4ClF3
Smiles	O=C(C(CCC/C1=C/c2ccccc2)=C1N1CCOCC1)N[C@]1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1
InChI	InChI=1S/C26H24ClF3N2O4/c27-19-9-10-21-22(16-19)36-26(35-21,25(28,29)30)31-24(33)20-8-4-7-18(15-17-5-2-1-3-6-17)23(20)32-11-13-34-14-12-32/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H,31,33)/t26-/m0/s1
InChIK	XBSHWULIMHYDME-SANMLTNESA-N
TotalMolweight	520.934
Molweight	520.934
MonoisotopicMass	520.137669
CLogP	6.2048
CLogS	-5.64
H Acceptors	6
H Donors	1
TotalSurfaceArea	361.27
Relative PSA	0.16068
PolarSurfaceArea	60.03
Druglikeness	-7.456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	6
Amides	1
StereoCon	this enantiomer

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1 - (3Z)-3-benzylidene-N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide | 2 - (3Z)-3-benzylidene-N-[(2S)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide

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