3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide

Formula:C23H27N4O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide is a drug-like molecule.

MolName3-(4-benzylpiperazin-1-yl)-N'-[(E)-3-(3-bromophenyl)prop-2-enoyl]propanehydrazide
MolecularFormulaC23H27N4O2Br
SmilesO=C(CCN1CCN(Cc2ccccc2)CC1)NNC(/C=C/c1cccc(Br)c1)=O
InChIInChI=1S/C23H27BrN4O2/c24-21-8-4-7-19(17-21)9-10-22(29)25-26-23(30)11-12-27-13-15-28(16-14-27)18-20-5-2-1-3-6-20/h1-10,17H,11-16,18H2,(H,25,29)(H,26,30)
InChIKQBBMSNMOIIDHDK-UHFFFAOYSA-N
TotalMolweight471.397
Molweight471.397
MonoisotopicMass470.131737
CLogP2.4726
CLogS-3.629
H Acceptors6
H Donors2
TotalSurfaceArea339.99
Relative PSA0.165
PolarSurfaceArea64.68
Druglikeness5.6156
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms4
Amines2
AlkylAmines2
BasicNitrogens2
StereoCon

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