Found 4443 results

Search term: MF = 'C_{29}H_{34}N_{4}O_{4}'
ChemSpider 2D Image | Octyl 2-amino-1-[4-(propoxycarbonyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate | C29H34N4O4

Octyl 2-amino-1-[4-(propoxycarbonyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

  • Molecular FormulaC29H34N4O4
  • Average mass502.605 Da
  • Monoisotopic mass502.257996 Da
  • ChemSpider ID3022372

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxylic acid, 2-amino-1-[4-(propoxycarbonyl)phenyl]-, octyl ester [ACD/Index Name]
2-Amino-1-[4-(propoxycarbonyl)phényl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate d'octyle [French] [ACD/IUPAC Name]
Octyl 2-amino-1-[4-(propoxycarbonyl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate [ACD/IUPAC Name]
Octyl-2-amino-1-[4-(propoxycarbonyl)phenyl]-1H-pyrrolo[2,3-b]chinoxalin-3-carboxylat [German] [ACD/IUPAC Name]
850720-03-5 [RN]
octyl 2-amino-1-(4-(propoxycarbonyl)phenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
octyl 2-amino-1-[4-(propoxycarbonyl)phenyl]pyrrolo[2,3-b]quinoxaline-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 503203.44
ACD/KOC (pH 5.5): 419599.22
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 503384.13
ACD/KOC (pH 7.4): 419749.91
Polar Surface Area: 109 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 407.5±7.0 cm3

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