ChemSpider 2D Image | 10-(3-Methylbutyl)-N-[2-(1-methyl-3-piperidinyl)ethyl]-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecine-12-carboxamide | C28H46N4O3

10-(3-Methylbutyl)-N-[2-(1-methyl-3-piperidinyl)ethyl]-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecine-12-carboxamide

  • Molecular FormulaC28H46N4O3
  • Average mass486.690 Da
  • Monoisotopic mass486.356995 Da
  • ChemSpider ID80809142

More details:

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

1,7,10-Benzoxadiazacyclotridecine-12-carboxamide, 2,3,4,5,6,7,8,9,10,11-decahydro-10-(3-methylbutyl)-N-[2-(1-methyl-3-piperidinyl)ethyl]-8-oxo- [ACD/Index Name]
10-(3-Methylbutyl)-N-[2-(1-methyl-3-piperidinyl)ethyl]-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecin-12-carboxamid [German] [ACD/IUPAC Name]
10-(3-Methylbutyl)-N-[2-(1-methyl-3-piperidinyl)ethyl]-8-oxo-2,3,4,5,6,7,8,9,10,11-decahydro-1,7,10-benzoxadiazacyclotridecine-12-carboxamide [ACD/IUPAC Name]
10-(3-Méthylbutyl)-N-[2-(1-méthyl-3-pipéridinyl)éthyl]-8-oxo-2,3,4,5,6,7,8,9,10,11-décahydro-1,7,10-benzoxadiazacyclotridécine-12-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 9.42
Polar Surface Area: 74 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 472.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement