N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

Formula:C19H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is a drug-like molecule.

MolNameN-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
MolecularFormulaC19H19N3O4
SmilesO=C(CCc1ccccc1)NCC(N/N=C\c(cc1)cc2c1OCO2)=O
InChIInChI=1S/C19H19N3O4/c23-18(9-7-14-4-2-1-3-5-14)20-12-19(24)22-21-11-15-6-8-16-17(10-15)26-13-25-16/h1-6,8,10-11H,7,9,12-13H2,(H,20,23)(H,22,24)
InChIKDLPMVOMDZOVFRM-UHFFFAOYSA-N
TotalMolweight353.377
Molweight353.377
MonoisotopicMass353.137557
CLogP2.8492
CLogS-4.434
H Acceptors7
H Donors2
TotalSurfaceArea277.74
Relative PSA0.28988
PolarSurfaceArea89.02
Druglikeness4.1799
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms2
Amides1
StereoCon

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