(5E)-5-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C25H18N2O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName(5E)-5-[[4-[2-(2-chlorophenoxy)ethoxy]phenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormulaC25H18N2O5Cl2
SmilesO=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c(cc2)ccc2OCCOc(cccc2)c2Cl)NC1=O
InChIInChI=1S/C25H18Cl2N2O5/c26-17-7-9-18(10-8-17)29-24(31)20(23(30)28-25(29)32)15-16-5-11-19(12-6-16)33-13-14-34-22-4-2-1-3-21(22)27/h1-12,15H,13-14H2,(H,28,30,32)
InChIKGRGMQHINZUFGLA-UHFFFAOYSA-N
TotalMolweight497.333
Molweight497.333
MonoisotopicMass496.059277
CLogP4.7224
CLogS-6.627
H Acceptors7
H Donors1
TotalSurfaceArea357.36
Relative PSA0.20744
PolarSurfaceArea84.94
Druglikeness-2.3041
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functionstwice activated DB
Shape Index0.61765
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms4
Amides2
StereoCon

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