1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide

Formula:C26H28N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide is a drug-like molecule.

MolName1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide
MolecularFormulaC26H28N4O2
SmilesO=C(C(CC(C1)C2)(CC1C1)CC12C(N/N=C\c1ccccc1)=O)N/N=C\c1ccccc1
InChIInChI=1S/C26H28N4O2/c31-23(29-27-16-19-7-3-1-4-8-19)25-12-21-11-22(13-25)15-26(14-21,18-25)24(32)30-28-17-20-9-5-2-6-10-20/h1-10,16-17,21-22H,11-15,18H2,(H,29,31)(H,30,32)
InChIKZDPMMBFIGKYFED-UHFFFAOYSA-N
TotalMolweight428.534
Molweight428.534
MonoisotopicMass428.221226
CLogP4.767
CLogS-6.45
H Acceptors6
H Donors2
TotalSurfaceArea328.84
Relative PSA0.21901
PolarSurfaceArea82.92
Druglikeness5.2464
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.59375
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures5
Small Rings6
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms18
StereoCon

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