(5E)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one

Formula:C23H19N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one is a drug-like molecule.

MolName(5E)-3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
MolecularFormulaC23H19N3O2
SmilesO=C1NNC(c2ccccc2)=N/C1=C/c(cc1)ccc1OCc1ccccc1
InChIInChI=1S/C23H19N3O2/c27-23-21(24-22(25-26-23)19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25)(H,26,27)
InChIKFHYINIXDXFRRTJ-UHFFFAOYSA-N
TotalMolweight369.423
Molweight369.423
MonoisotopicMass369.147727
CLogP2.4967
CLogS-5.361
H Acceptors5
H Donors2
TotalSurfaceArea291.39
Relative PSA0.19723
PolarSurfaceArea62.72
Druglikeness3.0078
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64286
Fragments1
Non HAtoms28
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms6
BasicNitrogens1
StereoCon

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