Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2,2-diphenylacetamide | C35H38N2O5S

N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2,2-diphenylacetamide

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID22864991

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-α-phenyl- [ACD/Index Name]
N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2,2-diphenylacetamid [German] [ACD/IUPAC Name]
N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2,2-diphenylacetamide [ACD/IUPAC Name]
N-{3,5-Diméthoxy-4-[2-(3-thiényl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]-2,2-diphénylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3195.35
ACD/KOC (pH 5.5): 11223.52
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3195.35
ACD/KOC (pH 7.4): 11223.52
Polar Surface Area: 105 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 475.8±5.0 cm3

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