ChemSpider 2D Image | N~2~-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-1H-pyrazol-5-ylalaninamide | C27H31N5O6

N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-1H-pyrazol-5-ylalaninamide

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID64973186

More details:

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

N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-1H-pyrazol-5-ylalaninamid [German] [ACD/IUPAC Name]
N2-(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)-N-1H-pyrazol-5-ylalaninamide [ACD/IUPAC Name]
N2-(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)-N-1H-pyrazol-5-ylalaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-1H-pyrazol-5-yl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 949.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 528.3±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 94.99
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 95.09
Polar Surface Area: 144 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 387.9±5.0 cm3

Click to predict properties on the Chemicalize site


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