ChemSpider 2D Image | Methyl 2,4-dimethyl-5-{2-[(N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycyl)oxy]propanoyl}-1H-pyrrole-3-carboxylate | C20H24N4O9S

Methyl 2,4-dimethyl-5-{2-[(N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycyl)oxy]propanoyl}-1H-pyrrole-3-carboxylate

  • Molecular FormulaC20H24N4O9S
  • Average mass496.491 Da
  • Monoisotopic mass496.126404 Da
  • ChemSpider ID33001957

More details:

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

1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-[2-[[2-[[[4-(methylamino)-3-nitrophenyl]sulfonyl]amino]acetyl]oxy]-1-oxopropyl]-, methyl ester [ACD/Index Name]
2,4-Diméthyl-5-{2-[(N-{[4-(méthylamino)-3-nitrophényl]sulfonyl}glycyl)oxy]propanoyl}-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,4-dimethyl-5-{2-[(N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycyl)oxy]propanoyl}-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-2,4-dimethyl-5-{2-[(N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycyl)oxy]propanoyl}-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.2±35.7 °C
Index of Refraction: 1.588
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.55
ACD/KOC (pH 5.5): 2154.12
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 297.57
ACD/KOC (pH 7.4): 2012.21
Polar Surface Area: 198 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

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