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N-[(Z)-benzylideneamino]-2-[(5R)-12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]acetamide

Formula:C29H34N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-[(5R)-12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]acetamide is not a drug-like molecule.
MolNameN-[(Z)-benzylideneamino]-2-[(5R)-12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]acetamide
MolecularFormulaC29H34N4O
SmilesO=C(CN1[C@H](CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)N/N=C\c1ccccc1
InChIInChI=1S/C29H34N4O/c34-28(31-30-19-21-8-3-1-4-9-21)20-32-16-17-33-26-15-14-23(22-10-5-2-6-11-22)18-25(26)24-12-7-13-27(32)29(24)33/h1,3-4,8-9,14-15,18-19,22,27H,2,5-7,10-13,16-17,20H2,(H,31,34)/t27-/m1/s1
InChIKAVFISANCMIGZNB-HHHXNRCGSA-N
TotalMolweight454.616
Molweight454.616
MonoisotopicMass454.273261
CLogP6.5927
CLogS-5.487
H Acceptors5
H Donors1
TotalSurfaceArea356.95
Relative PSA0.13007
PolarSurfaceArea49.63
Druglikeness2.0514
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.58824
Fragments1
Non HAtoms34
NonCHAtoms5
Electronegative Atoms5
StereoCenters1
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms14
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens1
BasicNitrogens1
StereoConthis enantiomer

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