Found 375 results

Search term: MF = 'C_{35}H_{31}N_{3}O_{4}'
ChemSpider 2D Image | Ethyl 4-{3-[1,3-benzoxazol-2-yl(methyl)amino]-1-propyn-1-yl}-N-(2-benzoylphenyl)-L-phenylalaninate | C35H31N3O4

Ethyl 4-{3-[1,3-benzoxazol-2-yl(methyl)amino]-1-propyn-1-yl}-N-(2-benzoylphenyl)-L-phenylalaninate

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID9459357

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{3-[1,3-Benzoxazol-2-yl(méthyl)amino]-1-propyn-1-yl}-N-(2-benzoylphényl)-L-phénylalaninate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[1,3-benzoxazol-2-yl(methyl)amino]-1-propyn-1-yl}-N-(2-benzoylphenyl)-L-phenylalaninate [ACD/IUPAC Name]
Ethyl-4-{3-[1,3-benzoxazol-2-yl(methyl)amino]-1-propin-1-yl}-N-(2-benzoylphenyl)-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, 4-[3-(2-benzoxazolylmethylamino)-1-propyn-1-yl]-N-(2-benzoylphenyl)-, ethyl ester [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: 736.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.670
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 390983.41
ACD/KOC (pH 5.5): 350220.50
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 391290.88
ACD/KOC (pH 7.4): 350495.94
Polar Surface Area: 85 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 435.3±5.0 cm3

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