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1-{4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}propan-1-one

1-{4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}propan-1-one

Formula: C16H22N4O3

SMILES: CCC(=O)N1CCN(CC1)C1=CC=C(C(NC2CC2)=C1)[N+]([O-])=O

IUPAC: 1-{4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}propan-1-one

InChI: InChI=1S/C16H22N4O3/c1-2-16(21)19-9-7-18(8-10-19)13-5-6-15(20(22)23)14(11-13)17-12-3-4-12/h5-6,11-12,17H,2-4,7-10H2,1H3

Composition: C (60.36%), H (6.97%), N (17.60%), O (15.08%)

Molar Mass: 318.377

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.169190584
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey AWAQNRKDZWLJAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.16
Topological Polar Surface Area 78.72
Polarizability 32.67
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H22N4O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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