N-[4-[4-[(E)-[3-(4-acetamidophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]acetamide

Formula:C35H28N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-[4-[(E)-[3-(4-acetamidophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]acetamide is not a drug-like molecule.

MolName	N-[4-[4-[(E)-[3-(4-acetamidophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]acetamide
MolecularFormula	C35H28N6O4
Smiles	CC(Nc(cc1)ccc1C(C(/C=C(\C(c(cc1)ccc1NC(C)=O)=NN1c2ccccc2)/C1=O)C1=O)=NN1c1ccccc1)=O
InChI	InChI=1S/C35H28N6O4/c1-22(42)36-26-17-13-24(14-18-26)32-30(34(44)40(38-32)28-9-5-3-6-10-28)21-31-33(25-15-19-27(20-16-25)37-23(2)43)39-41(35(31)45)29-11-7-4-8-12-29/h3-21,30H,1-2H3,(H,36,42)(H,37,43)/t30-/m0/s1
InChIK	GWGNTTBSFNSUDQ-PMERELPUSA-N
TotalMolweight	596.645
Molweight	596.645
MonoisotopicMass	596.217204
CLogP	5.4095
CLogS	-6.9
H Acceptors	10
H Donors	2
TotalSurfaceArea	447.73
Relative PSA	0.23496
PolarSurfaceArea	123.54
Druglikeness	4.9731
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.42222
Fragments	1
Non HAtoms	45
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	8
Amides	2
StereoCon	racemate

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1 - N-[4-[4-[(E)-[3-(4-acetamidophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]acetamide | 2 - N-[4-[4-[(E)-[3-(4-acetamidophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]acetamide

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