ChemSpider 2D Image | 2-(10-Benzyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)-N-(3,4,5-trimethoxybenzyl)acetamide | C33H41N3O6

2-(10-Benzyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)-N-(3,4,5-trimethoxybenzyl)acetamide

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID77200239

More details:

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

1,7,10-Benzoxadiazacyclotridecine-13-acetamide, 2,3,4,5,6,7,8,9,10,11-decahydro-8-oxo-10-(phenylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
2-(10-Benzyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)-N-(3,4,5-trimethoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-(10-Benzyl-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-13-yl)-N-(3,4,5-trimethoxybenzyl)acetamide [ACD/IUPAC Name]
2-(10-Benzyl-8-oxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,7,10-benzoxadiazacyclotridécin-13-yl)-N-(3,4,5-triméthoxybenzyl)acétamide [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: 798.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 436.5±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 57.06
ACD/KOC (pH 5.5): 508.75
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 118.84
ACD/KOC (pH 7.4): 1059.63
Polar Surface Area: 98 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 501.3±3.0 cm3

Click to predict properties on the Chemicalize site


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