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(E)-1-benzyl-N-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-imine

Formula:C32H40N6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-benzyl-N-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-imine is not a drug-like molecule.
MolName(E)-1-benzyl-N-[(Z)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3,6-diazatricyclo[4.3.1.13,8]undecan-9-imine
MolecularFormulaC32H40N6
SmilesC(C1(CN(CC2C3)CCN3C1)/C2=N/N=C(/C(C1)C2)\C3(Cc4ccccc4)CN2CCN1C3)c1ccccc1
InChIInChI=1S/C32H40N6/c1-3-7-25(8-4-1)15-31-21-35-11-12-36(22-31)18-27(17-35)29(31)33-34-30-28-19-37-13-14-38(20-28)24-32(30,23-37)16-26-9-5-2-6-10-26/h1-10,27-28H,11-24H2
InChIKXCAOLZVVOKXBBD-UHFFFAOYSA-N
TotalMolweight508.712
Molweight508.712
MonoisotopicMass508.331444
CLogP4.8286
CLogS-2.576
H Acceptors6
TotalSurfaceArea377.62
Relative PSA0.098565
PolarSurfaceArea37.68
Druglikeness4.5213
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine
Shape Index0.42105
Fragments1
Non HAtoms38
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures8
Small Rings10
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms22
Symmetricatoms12
Amines4
AlkylAmines4
BasicNitrogens4
StereoCon

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