N-[(2Z,4E)-1-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C23H19N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2Z,4E)-1-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	N-[(2Z,4E)-1-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C23H19N5O4
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\C(NC(N1)=O)=CC1=O
InChI	InChI=1S/C23H19N5O4/c29-20-14-18(25-23(32)27-20)15-24-28-22(31)19(13-7-10-16-8-3-1-4-9-16)26-21(30)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,28,31)(H2,25,27,29,32)
InChIK	UBOIDXZKHPCMKQ-UHFFFAOYSA-N
TotalMolweight	429.435
Molweight	429.435
MonoisotopicMass	429.143705
CLogP	2.3709
CLogS	-5.054
H Acceptors	9
H Donors	4
TotalSurfaceArea	337.04
Relative PSA	0.32492
PolarSurfaceArea	128.76
Druglikeness	5.2714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
Amides	3
StereoCon

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1 - N-[(2Z,4E)-1-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

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