2-[4-[[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid

Formula:C24H21N2O7Br Mutagenic:none Tumorigenic:high Reproductive Effective:high 2-[4-[[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid is not a drug-like molecule.

MolName	2-[4-[[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid
MolecularFormula	C24H21N2O7Br
Smiles	Cc(cc(cc1)N(C(C(C(N2)=O)=Cc(cc3CC=C)cc(OC)c3OCC(O)=O)=O)C2=O)c1Br
InChI	InChI=1S/C24H21BrN2O7/c1-4-5-15-9-14(11-19(33-3)21(15)34-12-20(28)29)10-17-22(30)26-24(32)27(23(17)31)16-6-7-18(25)13(2)8-16/h4,6-11H,1,5,12H2,2-3H3,(H,28,29)(H,26,30,32)
InChIK	SEQWXTQDZCTRBI-UHFFFAOYSA-N
TotalMolweight	529.342
Molweight	529.342
MonoisotopicMass	528.053214
CLogP	3.2429
CLogS	-5.588
H Acceptors	9
H Donors	2
TotalSurfaceArea	358.55
Relative PSA	0.27965
PolarSurfaceArea	122.24
Druglikeness	0.42514
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[4-[[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid | 2 - 2-[4-[[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-6-prop-2-enylphenoxy]acetic acid

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