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1-(4-{4-[(E)-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino]phenyl}piperazin-1-yl)propan-1-one

1-(4-{4-[(E)-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino]phenyl}piperazin-1-yl)propan-1-one

Formula: C22H26N4O5

SMILES: CCOC1=CC(=CC(C=NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CC)=C1O)[N+]([O-])=O

IUPAC: 1-(4-{4-[(E)-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino]phenyl}piperazin-1-yl)propan-1-one

InChI: InChI=1S/C22H26N4O5/c1-3-21(27)25-11-9-24(10-12-25)18-7-5-17(6-8-18)23-15-16-13-19(26(29)30)14-20(22(16)28)31-4-2/h5-8,13-15,28H,3-4,9-12H2,1-2H3/b23-15+

Composition: C (61.96%), H (6.15%), N (13.14%), O (18.76%)

Molar Mass: 426.473

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 426.190319953
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey IOGKRYJZFFAUFW-HZHRSRAPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.28
Topological Polar Surface Area 108.51
Polarizability 43.84
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H26N4O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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