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3-bromo-N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzohydrazide

3-bromo-N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzohydrazide

Formula: C20H20BrN3O4

SMILES: CCCOC1=CC=C(C=C1)N1C(=O)CC(NNC(=O)C2=CC=CC(Br)=C2)C1=O

IUPAC: 3-bromo-N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzohydrazide

InChI: InChI=1/C20H20BrN3O4/c1-2-10-28-16-8-6-15(7-9-16)24-18(25)12-17(20(24)27)22-23-19(26)13-4-3-5-14(21)11-13/h3-9,11,17,22H,2,10,12H2,1H3,(H,23,26)

Composition: C (53.82%), H (4.52%), Br (17.90%), N (9.42%), O (14.34%)

Molar Mass: 446.301

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 445.063719
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YEONOHSCEIJUCJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.34
Topological Polar Surface Area 87.74
Polarizability 41.13
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H20BrN3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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