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N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide

Formula:C24H25N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide is not a drug-like molecule.
MolNameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
MolecularFormulaC24H25N5O6
SmilesO=C(CN(CC1)CCC1C(N/N=C\c(cc1)cc2c1OCO2)=O)N/N=C\c(cc1)cc2c1OCO2
InChIInChI=1S/C24H25N5O6/c30-23(27-25-11-16-1-3-19-21(9-16)34-14-32-19)13-29-7-5-18(6-8-29)24(31)28-26-12-17-2-4-20-22(10-17)35-15-33-20/h1-4,9-12,18H,5-8,13-15H2,(H,27,30)(H,28,31)
InChIKZPDYTTIPCCATPJ-UHFFFAOYSA-N
TotalMolweight479.492
Molweight479.492
MonoisotopicMass479.180485
CLogP3.457
CLogS-5.779
H Acceptors11
H Donors2
TotalSurfaceArea359.58
Relative PSA0.3214
PolarSurfaceArea123.08
Druglikeness9.1935
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65714
Fragments1
Non HAtoms35
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms13
Symmetricatoms2
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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