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

Formula:C23H17N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC23H17N2O5Cl
SmilesO=C(/C(/C(N1Cc2ccco2)=O)=C\c(cccc2)c2OCc(cc2)ccc2Cl)NC1=O
InChIInChI=1S/C23H17ClN2O5/c24-17-9-7-15(8-10-17)14-31-20-6-2-1-4-16(20)12-19-21(27)25-23(29)26(22(19)28)13-18-5-3-11-30-18/h1-12H,13-14H2,(H,25,27,29)
InChIKBGUMKZVPJWHYND-UHFFFAOYSA-N
TotalMolweight436.85
Molweight436.85
MonoisotopicMass436.0826
CLogP3.2211
CLogS-5.124
H Acceptors7
H Donors1
TotalSurfaceArea321.63
Relative PSA0.24326
PolarSurfaceArea88.85
Druglikeness5.4442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms2
Amides2
StereoCon

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