ChemSpider 2D Image | 1,3-Bis[(3-phenylpropanoyl)amino]-2-propanyl N-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate | C35H41N3O6S

1,3-Bis[(3-phenylpropanoyl)amino]-2-propanyl N-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate

  • Molecular FormulaC35H41N3O6S
  • Average mass631.781 Da
  • Monoisotopic mass631.271606 Da
  • ChemSpider ID2332449

More details:

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

1,3-Bis[(3-phenylpropanoyl)amino]-2-propanyl N-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate [ACD/IUPAC Name]
1,3-Bis[(3-phenylpropanoyl)amino]-2-propanyl-N-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[3-(acetylthio)-1-oxo-2-(phenylmethyl)propyl]-, 2-[(1-oxo-3-phenylpropyl)amino]-1-[[(1-oxo-3-phenylpropyl)amino]methyl]ethyl ester [ACD/Index Name]
N-[3-(Acétylsulfanyl)-2-benzylpropanoyl]glycinate de 1,3-bis[(3-phénylpropanoyl)amino]-2-propanyle [French] [ACD/IUPAC Name]
1,3-BIS(3-PHENYLPROPANAMIDO)PROPAN-2-YL 2-{2-[(ACETYLSULFANYL)METHYL]-3-PHENYLPROPANAMIDO}ACETATE
147879-85-4 [RN]
161696-92-0 [RN]
Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxo-3 -phenylpropyl)amino)-1-(((1-o

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

Density: 1.2±0.1 g/cm3
Boiling Point: 904.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 500.6±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 174.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1269.82
ACD/KOC (pH 5.5): 5797.73
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1269.82
ACD/KOC (pH 7.4): 5797.73
Polar Surface Area: 156 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 524.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement