ChemSpider 2D Image | Ancriviroc | C28H37BrN4O3

Ancriviroc

  • Molecular FormulaC28H37BrN4O3
  • Average mass557.522 Da
  • Monoisotopic mass556.204895 Da
  • ChemSpider ID7848800
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}(2,4-dimethyl-1-oxido-3-pyridinyl)methanone [ACD/IUPAC Name]
{4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}(2,4-dimethyl-1-oxidopyridin-3-yl)methanone
{4-[(Z)-(4-Bromophényl)(éthoxyimino)méthyl]-4'-méthyl-1,4'-bipipéridin-1'-yl}(2,4-diméthyl-1-oxydo-3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
{4-[(Z)-(4-Bromphenyl)(ethoxyimino)methyl]-4'-methyl-1,4'-bipiperidin-1'-yl}(2,4-dimethyl-1-oxido-3-pyridinyl)methanon [German] [ACD/IUPAC Name]
370893-06-4 [RN]
8459
Ancriviroc [USAN]
Methanone, (4-bromophenyl)[1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (Z)- [ACD/Index Name]
(1,4?-Bipiperidine)-4-methanimine, α-(4-bromophenyl)-1?-((2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl)-N-ethoxy-4?- methyl-, (α.Z)-
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

322WXU4AU2 [DBID]
SCH351125 [DBID]
AIDS017384 [DBID]
AIDS-017384 [DBID]
AIDS021039 [DBID]
AIDS-021039 [DBID]
AIDS165877 [DBID]
AIDS-165877 [DBID]
AIDS166351 [DBID]
AIDS-166351 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 700.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 146.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 7.81
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 56.12
ACD/KOC (pH 7.4): 398.46
Polar Surface Area: 71 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 421.3±7.0 cm3

Click to predict properties on the Chemicalize site






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