Found 2535 results

Search term: MF = 'C_{31}H_{35}N_{3}O_{4}'
ChemSpider 2D Image | 2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-(4-butyl-3-oxo-3,4-dihydro-2-quinoxalinyl)propanoate | C31H35N3O4

2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-(4-butyl-3-oxo-3,4-dihydro-2-quinoxalinyl)propanoate

  • Molecular FormulaC31H35N3O4
  • Average mass513.627 Da
  • Monoisotopic mass513.262756 Da
  • ChemSpider ID1805434

More details:

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

2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-(4-butyl-3-oxo-3,4-dihydro-2-quinoxalinyl)propanoate [ACD/IUPAC Name]
2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-3-(4-butyl-3-oxo-3,4-dihydro-2-chinoxalinyl)propanoat [German] [ACD/IUPAC Name]
2-Quinoxalinepropanoic acid, 4-butyl-3,4-dihydro-3-oxo-, 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]
3-(4-Butyl-3-oxo-3,4-dihydro-2-quinoxalinyl)propanoate de 2-[1-(3,4-diméthylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [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: 690.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28049.78
ACD/KOC (pH 5.5): 53138.82
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28049.87
ACD/KOC (pH 7.4): 53138.99
Polar Surface Area: 81 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 437.2±7.0 cm3

Click to predict properties on the Chemicalize site


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