ChemSpider 2D Image | 3-(3-Methoxypropyl)-N-(3-methylbutyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.0~7,15~.0~8,13~]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide | C31H41N5O5

3-(3-Methoxypropyl)-N-(3-methylbutyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID81374702

More details:

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

1H-6,10-Metheno-12H-[1,4,7,10]oxatriazacyclooctadecino[7,8-b]indazole-4-carboxamide, 2,3,4,5,13,14,15,16-octahydro-4-(3-methoxypropyl)-N-(3-methylbutyl)-1,13-dioxo- [ACD/Index Name]
3-(3-Methoxypropyl)-N-(3-methylbutyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaen-3-carboxamid [German] [ACD/IUPAC Name]
3-(3-Methoxypropyl)-N-(3-methylbutyl)-6,19-dioxo-21-oxa-5,14,15,18-tetraazatetracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaene-3-carboxamide [ACD/IUPAC Name]
3-(3-Méthoxypropyl)-N-(3-méthylbutyl)-6,19-dioxo-21-oxa-5,14,15,18-tétraazatétracyclo[20.3.1.07,15.08,13]hexacosa-1(26),7,9,11,13,22,24-heptaène-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 880.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 486.1±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 156.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.82
ACD/KOC (pH 5.5): 529.34
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.82
ACD/KOC (pH 7.4): 529.34
Polar Surface Area: 124 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 453.9±7.0 cm3

Click to predict properties on the Chemicalize site


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