ChemSpider 2D Image | (3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide | C31H34N4O3S

(3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide

  • Molecular FormulaC31H34N4O3S
  • Average mass542.692 Da
  • Monoisotopic mass542.235168 Da
  • ChemSpider ID35034038
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3as,4S,6ar)-2-oxo-hexahydro-1H-thieno[3,4- D]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-[2-[([1,1':3',1''-terphenyl]-2'-ylcarbonyl)amino]ethyl]-, (3aS,4S,6aR)- [ACD/Index Name]
N-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-1,1':3',1''-terphenyl-2'-carboxamid [German] [ACD/IUPAC Name]
N-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-1,1':3',1''-terphenyl-2'-carboxamide [ACD/IUPAC Name]
N-[2-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino)éthyl]-1,1':3',1''-terphényl-2'-carboxamide [French] [ACD/IUPAC Name]
(3as,4s,6ar)-2-Oxo-Hexahydro-1h-Thieno[3,4-D]imidazolidin-4-Yl]-N-{2-[(2,6-Diphenylphenyl)formamido]ethyl}pentanamide
LUV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 861.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.2±3.0 kJ/mol
Flash Point: 474.9±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1541.99
ACD/KOC (pH 5.5): 6662.34
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1541.99
ACD/KOC (pH 7.4): 6662.34
Polar Surface Area: 125 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 452.3±3.0 cm3

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