ChemSpider 2D Image | (1R,2S)-N,N'-Bis[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-3-[2-(methylamino)benzoyl]-1,2-cyclopropanedicarboxamide | C34H41N3O7

(1R,2S)-N,N'-Bis[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-3-[2-(methylamino)benzoyl]-1,2-cyclopropanedicarboxamide

  • Molecular FormulaC34H41N3O7
  • Average mass603.705 Da
  • Monoisotopic mass603.294434 Da
  • ChemSpider ID28606234

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S)-N,N'-Bis[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-3-[2-(methylamino)benzoyl]-1,2-cyclopropandicarboxamid [German] [ACD/IUPAC Name]
(1R,2S)-N,N'-Bis[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-3-[2-(methylamino)benzoyl]-1,2-cyclopropanedicarboxamide [ACD/IUPAC Name]
(1R,2S)-N,N'-Bis[2-(3,4-diméthoxyphényl)éthyl]-3-méthyl-3-[2-(méthylamino)benzoyl]-1,2-cyclopropanedicarboxamide [French] [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxamide, N1,N2-bis[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-3-[2-(methylamino)benzoyl]-, (1R,2S)- [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: 845.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 465.2±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1114.04
ACD/KOC (pH 5.5): 5274.19
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1117.75
ACD/KOC (pH 7.4): 5291.76
Polar Surface Area: 124 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 498.7±3.0 cm3

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