ChemSpider 2D Image | 6-Ethyl-2a,7b-diphenyltetrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]indene-1,4(2H,3H)-dione | C20H21N5O2

6-Ethyl-2a,7b-diphenyltetrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]indene-1,4(2H,3H)-dione

  • Molecular FormulaC20H21N5O2
  • Average mass363.413 Da
  • Monoisotopic mass363.169525 Da
  • ChemSpider ID21119384

More details:

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

5H-2,3,4a,6,7a-Pentaazacyclopent[cd]indene-1,4(2H,3H)-dione, 6-ethyltetrahydro-2a,7b-diphenyl- [ACD/Index Name]
6-ethyl-2a,7b-diphenyl-1,2,2a,3,4,6,7,7b-octahydro-5H-2,3,4a,6,7a-pentaazacyclopenta(cd)indene-1,4-dione
6-Ethyl-2a,7b-diphenyltetrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]inden-1,4(2H,3H)-dion [German] [ACD/IUPAC Name]
6-Ethyl-2a,7b-diphenyltetrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]indene-1,4(2H,3H)-dione [ACD/IUPAC Name]
6-Éthyl-2a,7b-diphényltétrahydro-5H-2,3,4a,6,7a-pentaazacyclopenta[cd]indène-1,4(2H,3H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.4±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 258.1±7.0 cm3

Click to predict properties on the Chemicalize site


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