ChemSpider 2D Image | 2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(3-nitrophenyl)hexanamide | C30H27N3O5

2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(3-nitrophenyl)hexanamide

  • Molecular FormulaC30H27N3O5
  • Average mass509.552 Da
  • Monoisotopic mass509.195068 Da
  • ChemSpider ID2759259

More details:

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

2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(3-nitrophenyl)hexanamid [German] [ACD/IUPAC Name]
2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(3-nitrophenyl)hexanamide [ACD/IUPAC Name]
2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaén-17-yl)-N-(3-nitrophényl)hexanamide [French] [ACD/IUPAC Name]
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(3-nitrophenyl)hexanamide (non-preferred name)

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

ChemDiv1_023745 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12046.48
ACD/KOC (pH 5.5): 29018.06
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12046.35
ACD/KOC (pH 7.4): 29017.74
Polar Surface Area: 112 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 375.3±3.0 cm3

Click to predict properties on the Chemicalize site


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