N-[(1S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

Formula:C25H19N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(1S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide is a drug-like molecule.

MolName	N-[(1S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
MolecularFormula	C25H19N5O5
Smiles	O=C([C@H](C(c1c2cccc1)=NNC2=O)NC(c1ccccc1)=O)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C25H19N5O5/c31-23(16-6-2-1-3-7-16)27-22(21-17-8-4-5-9-18(17)24(32)30-28-21)25(33)29-26-13-15-10-11-19-20(12-15)35-14-34-19/h1-13,22H,14H2,(H,27,31)(H,29,33)(H,30,32)/t22-/m0/s1
InChIK	IYXFIAUKAUFRJP-QFIPXVFZSA-N
TotalMolweight	469.456
Molweight	469.456
MonoisotopicMass	469.13862
CLogP	3.2445
CLogS	-6.588
H Acceptors	10
H Donors	3
TotalSurfaceArea	347.4
Relative PSA	0.33541
PolarSurfaceArea	130.48
Druglikeness	6.8148
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - N-[(1S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | 2 - N-[(1S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide

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