ChemSpider 2D Image | N-[(6-Methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide | C33H46N4O6

N-[(6-Methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide

  • Molecular FormulaC33H46N4O6
  • Average mass594.742 Da
  • Monoisotopic mass594.341736 Da
  • ChemSpider ID107749327

More details:

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

2-Oxa-5,9,14-triazabicyclo[16.2.2]docosa-18,20,21-triene-16-carboxamide, N-[(2,3-dihydro-6-methoxy-1H-inden-5-yl)methyl]-16-(2-methoxyethyl)-4,13-dioxo- [ACD/Index Name]
N-[(6-Methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-carboxamid [German] [ACD/IUPAC Name]
N-[(6-Methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide [ACD/IUPAC Name]
N-[(6-Méthoxy-2,3-dihydro-1H-indén-5-yl)méthyl]-16-(2-méthoxyéthyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triène-16-carboxamide [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: 884.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 163.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 534.0±3.0 cm3

Click to predict properties on the Chemicalize site


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