2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide

Formula:C20H16N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide is a drug-like molecule.

MolName2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide
MolecularFormulaC20H16N4O6
Smiles[O-][N+](C(C(N1)=O)=C(/C=C\c(cccc2)c2OCC(Nc2ccccc2)=O)NC1=O)=O
InChIInChI=1S/C20H16N4O6/c25-17(21-14-7-2-1-3-8-14)12-30-16-9-5-4-6-13(16)10-11-15-18(24(28)29)19(26)23-20(27)22-15/h1-11H,12H2,(H,21,25)(H2,22,23,26,27)
InChIKWZPAIXBGNXLFOX-UHFFFAOYSA-N
TotalMolweight408.369
Molweight408.369
MonoisotopicMass408.106986
CLogP1.0184
CLogS-4.698
H Acceptors10
H Donors3
TotalSurfaceArea304
Relative PSA0.37474
PolarSurfaceArea142.35
Druglikeness-2.7926
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides3
AcidicOxygens1
StereoCon

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