Found 375 results

Search term: MF = 'C_{35}H_{31}N_{3}O_{4}'
ChemSpider 2D Image | Methyl (2E)-2-[(2,6-dimethyl-4-{[(1R)-1-(1-naphthyl)ethyl]carbamoyl}benzoyl)amino]-3-(3-quinolinyl)acrylate | C35H31N3O4

Methyl (2E)-2-[(2,6-dimethyl-4-{[(1R)-1-(1-naphthyl)ethyl]carbamoyl}benzoyl)amino]-3-(3-quinolinyl)acrylate

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID8478484

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-2-[(2,6-Diméthyl-4-{[(1R)-1-(1-naphtyl)éthyl]carbamoyl}benzoyl)amino]-3-(3-quinoléinyl)acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-[[2,6-dimethyl-4-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]carbonyl]benzoyl]amino]-3-(3-quinolinyl)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-[(2,6-dimethyl-4-{[(1R)-1-(1-naphthyl)ethyl]carbamoyl}benzoyl)amino]-3-(3-quinolinyl)acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-(3-chinolinyl)-2-[(2,6-dimethyl-4-{[(1R)-1-(1-naphthyl)ethyl]carbamoyl}benzoyl)amino]acrylat [German] [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: 800.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.6±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 167.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10476.66
ACD/KOC (pH 5.5): 26215.56
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10527.58
ACD/KOC (pH 7.4): 26342.97
Polar Surface Area: 97 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 447.2±3.0 cm3

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