ChemSpider 2D Image | Methyl 2-({[7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)benzoate | C21H24N4O6

Methyl 2-({[7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)benzoate

  • Molecular FormulaC21H24N4O6
  • Average mass428.439 Da
  • Monoisotopic mass428.169586 Da
  • ChemSpider ID21931141

More details:

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

2-({[7-(3-Méthoxypropyl)-1,3-diméthyl-2,4-dioxo-2,3,4,7-tétrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[2,3,4,7-tetrahydro-7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({[7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({[7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
1021059-39-1 [RN]
2-{[7-(3-Methoxy-propyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-amino}-benzoic acid methyl ester
methyl 2-(7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamido)benzoate
methyl 2-[7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-amido]benzoate
MFCD09991203

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.71
ACD/KOC (pH 5.5): 536.80
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.71
ACD/KOC (pH 7.4): 536.80
Polar Surface Area: 110 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 320.6±7.0 cm3

Click to predict properties on the Chemicalize site


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