ChemSpider 2D Image | {3-[2-(4-{[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]amino}-1-piperidinyl)ethyl]-3-(4-methoxyphenyl)-1-pyrrolidinyl}(3,4,5-trimethoxyphenyl)methanone | C39H51N5O6

{3-[2-(4-{[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]amino}-1-piperidinyl)ethyl]-3-(4-methoxyphenyl)-1-pyrrolidinyl}(3,4,5-trimethoxyphenyl)methanone

  • Molecular FormulaC39H51N5O6
  • Average mass685.852 Da
  • Monoisotopic mass685.383911 Da
  • ChemSpider ID8050448

More details:

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

{3-[2-(4-{[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]amino}-1-piperidinyl)ethyl]-3-(4-methoxyphenyl)-1-pyrrolidinyl}(3,4,5-trimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{3-[2-(4-{[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]amino}-1-piperidinyl)ethyl]-3-(4-methoxyphenyl)-1-pyrrolidinyl}(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
{3-[2-(4-{[1-(2-Éthoxyéthyl)-1H-benzimidazol-2-yl]amino}-1-pipéridinyl)éthyl]-3-(4-méthoxyphényl)-1-pyrrolidinyl}(3,4,5-triméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[2-[4-[[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]-3-(4-methoxyphenyl)-1-pyrrolidinyl](3,4,5-trimethoxyphenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 821.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.6±37.1 °C
Index of Refraction: 1.603
Molar Refractivity: 192.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 7.15
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 205.92
ACD/KOC (pH 7.4): 551.91
Polar Surface Area: 100 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 560.3±7.0 cm3

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