ChemSpider 2D Image | 3-(10-{4-[2-(Dimethylamino)ethoxy]-3-methoxybenzyl}-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanoic acid | C29H41N3O6

3-(10-{4-[2-(Dimethylamino)ethoxy]-3-methoxybenzyl}-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanoic acid

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID77200409

More details:

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

1,7,10-Benzoxadiazacyclotridecine-13-propanoic acid, 10-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,3,4,5,6,7,8,9,10,11-decahydro-8-oxo- [ACD/Index Name]
3-(10-{4-[2-(Dimethylamino)ethoxy]-3-methoxybenzyl}-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propanoic acid [ACD/IUPAC Name]
3-(10-{4-[2-(Dimethylamino)ethoxy]-3-methoxybenzyl}-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(10-{4-[2-(diméthylamino)éthoxy]-3-méthoxybenzyl}-8-oxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,7,10-benzoxadiazacyclotridécin-13-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 101 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 462.1±3.0 cm3

Click to predict properties on the Chemicalize site


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