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N-({N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}(4-oxo-3H-phthalazin-1-yl)methyl)benzamide

N-({N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}(4-oxo-3H-phthalazin-1-yl)methyl)benzamide

CAS: 916170-19-9

Formula: C25H20BrN5O3

SMILES: CC(=N/NC(=O)C(NC(=O)C1=CC=CC=C1)C1=NNC(=O)C2=CC=CC=C12)C1=CC(Br)=CC=C1

IUPAC: N-({N'-[(1E)-1-(3-bromophenyl)ethylidene]hydrazinecarbonyl}(4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide

InChI: InChI=1/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+

Composition: C (57.93%), H (3.89%), Br (15.41%), N (13.51%), O (9.26%)

Molar Mass: 518.371

Atom Count: 54

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 517.074953
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey UCUHFWIFSHROPY-RWPZCVJINA-N
Lipinski's Rule of Five
Molar Refractivity 131.81
Topological Polar Surface Area 112.02
Polarizability 49.09
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 916170-19-9 $38.22-$203.33$38.22$61.92$112.37$203.33
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