ChemSpider 2D Image | (1R,2R)-2-(2-{[3-(1H-Benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-2-naphthalenyl methoxyacetate | C29H38FN3O3

(1R,2R)-2-(2-{[3-(1H-Benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-2-naphthalenyl methoxyacetate

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID68897734

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-(2-{[3-(1H-Benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluor-1-isopropyl-1,2,3,4-tetrahydro-2-naphthalinyl-methoxyacetat [German] [ACD/IUPAC Name]
(1R,2R)-2-(2-{[3-(1H-Benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-2-naphthalenyl methoxyacetate [ACD/IUPAC Name]
Acetic acid, 2-methoxy-, (1R,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester [ACD/Index Name]
Méthoxyacétate de (1R,2R)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](méthyl)amino}éthyl)-6-fluoro-1-isopropyl-1,2,3,4-tétrahydro-2-naphtalényle [French] [ACD/IUPAC 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: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 18.08
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 309.41
ACD/KOC (pH 7.4): 594.52
Polar Surface Area: 67 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 418.3±5.0 cm3

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