(5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C23H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-1-(furan-2-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormulaC23H18N2O5
SmilesO=C(/C(/C(N1Cc2ccco2)=O)=C\c(cccc2)c2OCc2ccccc2)NC1=O
InChIInChI=1S/C23H18N2O5/c26-21-19(22(27)25(23(28)24-21)14-18-10-6-12-29-18)13-17-9-4-5-11-20(17)30-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26,28)
InChIKLLUHBGOYFSGADT-UHFFFAOYSA-N
TotalMolweight402.405
Molweight402.405
MonoisotopicMass402.121573
CLogP2.6151
CLogS-4.388
H Acceptors7
H Donors1
TotalSurfaceArea306.21
Relative PSA0.25551
PolarSurfaceArea88.85
Druglikeness5.3812
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms2
Amides2
StereoCon

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