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N-(adamantan-2-yl)-3-[(3-bromophenyl)formohydrazido]but-2-enamide

N-(adamantan-2-yl)-3-[(3-bromophenyl)formohydrazido]but-2-enamide

Formula: C21H26BrN3O2

SMILES: CC(NNC(=O)C1=CC=CC(Br)=C1)=CC(=O)NC1C2CC3CC(C2)CC1C3

IUPAC: N-(adamantan-2-yl)-3-[(3-bromophenyl)formohydrazido]but-2-enamide

InChI: InChI=1S/C21H26BrN3O2/c1-12(24-25-21(27)15-3-2-4-18(22)11-15)5-19(26)23-20-16-7-13-6-14(9-16)10-17(20)8-13/h2-5,11,13-14,16-17,20,24H,6-10H2,1H3,(H,23,26)(H,25,27)

Composition: C (58.34%), H (6.06%), Br (18.48%), N (9.72%), O (7.40%)

Molar Mass: 432.362

Atom Count: 53

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 431.12084
Formal Charge 0
FSP3 0.52
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey VZZQAYDLNMCLAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.57
Topological Polar Surface Area 70.23
Polarizability 41.63
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H26BrN3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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