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CAT: 0926-FGA20423-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FGA20423-02Size:100 mg
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CAS Number
155204-23-2
MDL Number
MFCD10565910
Smiles
COC1=CC=CC=C1N2CCN (CC2) CCN (C3=CC=CC=N3) C (=O) C4=CC=C (C=C4) I
Molecular Formula
C25H27IN4O2
Molecular Weight
542.4 g/mol
Controlled
No

Chemical Information

4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide

increases short-term modulation of the exercise ventilatory response in goats

CAS Number155204-23-2
PubChem CID4658
IUPAC Name4-iodo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
Molecular FormulaC25H27IN4O2
Molecular Weight542.4
XLogP4.5
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity578
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)I
InChI
InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
InChIKey
DHMLNZRDVQLQBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CAS: 155204-23-2
CID: 4658
Formula: C25H27IN4O2
MW: 542.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight542.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass542.11787
Monoisotopic Mass542.11787
Topological Polar Surface Area48.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes