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Search term: ADAGRLDCCJAKFP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Brl-32872 Free Base | C29H35N3O7

Brl-32872 Free Base

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID571091

More details:

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

Benzamide, N-(3,4-dimethoxyphenyl)-N-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-4-nitro- [ACD/Index Name]
Brl-32872 Free Base
N-(3,4-Dimethoxyphenyl)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}propyl)-4-nitrobenzamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-N-(3-{[2-(3,4-diméthoxyphényl)éthyl](méthyl)amino}propyl)-4-nitrobenzamide [French] [ACD/IUPAC Name]
113241-09-1 [RN]

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

BRL-32872 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 688.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.3±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.78
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 25.75
ACD/KOC (pH 7.4): 139.40
Polar Surface Area: 106 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 445.2±3.0 cm3

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