(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

Formula:C23H23N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C23H23N2O4Cl
Smiles	CC[C@@H](C)Oc(ccc(/C=C(\C(NC(N1c2cc(C)cc(C)c2)=O)=O)/C1=O)c1)c1Cl
InChI	InChI=1S/C23H23ClN2O4/c1-5-15(4)30-20-7-6-16(12-19(20)24)11-18-21(27)25-23(29)26(22(18)28)17-9-13(2)8-14(3)10-17/h6-12,15H,5H2,1-4H3,(H,25,27,29)/b18-11+/t15-/m1/s1
InChIK	NGDAMMOUBBFTKW-CLXYIWAZSA-N
TotalMolweight	426.899
Molweight	426.899
MonoisotopicMass	426.134635
CLogP	4.5992
CLogS	-6.277
H Acceptors	6
H Donors	1
TotalSurfaceArea	319.96
Relative PSA	0.20043
PolarSurfaceArea	75.71
Druglikeness	5.3796
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	3
Amides	2
StereoCon	this enantiomer

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1 - (5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

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