ChemSpider 2D Image | AG-041R | C31H36N4O5

AG-041R

  • Molecular FormulaC31H36N4O5
  • Average mass544.641 Da
  • Monoisotopic mass544.268555 Da
  • ChemSpider ID7983190
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-acetamide, 1-(2,2-diethoxyethyl)-2,3-dihydro-N-(4-methylphenyl)-3-[[[(4-methylphenyl)amino]carbonyl]amino]-2-oxo-, (3R)- [ACD/Index Name]
2-[(3R)-1-(2,2-Diethoxyethyl)-3-{[(4-methylphenyl)carbamoyl]amino}-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(3R)-1-(2,2-Diethoxyethyl)-3-{[(4-methylphenyl)carbamoyl]amino}-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(3R)-1-(2,2-Diéthoxyéthyl)-3-{[(4-méthylphényl)carbamoyl]amino}-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
AG-041R
(3R)-1-(2,2-diethoxyethyl)-2,3-dihydro-N-(4-methylphenyl)-3-[[[(4-methylphenyl)amino]carbonyl]amino]-2-oxo-1H-indole-3-acetamide
159883-95-1 [RN]
199800-49-2 [RN]
2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
AG 041R
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 766.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.4±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1655.82
ACD/KOC (pH 5.5): 7009.85
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1599.60
ACD/KOC (pH 7.4): 6771.82
Polar Surface Area: 109 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

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