ChemSpider 2D Image | 6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | C26H32N2O5

6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

  • Molecular FormulaC26H32N2O5
  • Average mass452.543 Da
  • Monoisotopic mass452.231110 Da
  • ChemSpider ID35033987

More details:






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

1,4-Benzodioxin-5-carboxylic acid, 6-[[[[2-[[(cyclohexylmethyl)amino]carbonyl]phenyl]methyl]methylamino]methyl]-2,3-dihydro- [ACD/Index Name]
6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid
6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxin-5-carbonsäure [German] [ACD/IUPAC Name]
6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid [ACD/IUPAC Name]
Acide 6-{[{2-[(cyclohexylméthyl)carbamoyl]benzyl}(méthyl)amino]méthyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylique [French] [ACD/IUPAC Name]
L0Y

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 21.55
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 14.50
Polar Surface Area: 88 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 371.0±3.0 cm3

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