N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-1-yl)methyl]benzamide

Formula:C27H28N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-1-yl)methyl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-1-yl)methyl]benzamide
MolecularFormula	C27H28N4O3
Smiles	O=C(c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C27H28N4O3/c32-27(29-28-17-23-8-11-25-26(16-23)34-20-33-25)24-9-6-22(7-10-24)19-31-14-12-30(13-15-31)18-21-4-2-1-3-5-21/h1-11,16-17H,12-15,18-20H2,(H,29,32)
InChIK	PJQNRCUCGNSBID-UHFFFAOYSA-N
TotalMolweight	456.544
Molweight	456.544
MonoisotopicMass	456.216141
CLogP	4.4324
CLogS	-4.838
H Acceptors	7
H Donors	1
TotalSurfaceArea	356.67
Relative PSA	0.17694
PolarSurfaceArea	66.4
Druglikeness	9.0156
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67647
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-1-yl)methyl]benzamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-benzylpiperazin-1-yl)methyl]benzamide

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