ChemSpider 2D Image | 1-[2-(Difluoromethoxy)-5-nitrophenyl]-3-{[2-(1-pyrrolidinyl)-4-pyridinyl]methyl}urea | C18H19F2N5O4

1-[2-(Difluoromethoxy)-5-nitrophenyl]-3-{[2-(1-pyrrolidinyl)-4-pyridinyl]methyl}urea

  • Molecular FormulaC18H19F2N5O4
  • Average mass407.371 Da
  • Monoisotopic mass407.140503 Da
  • ChemSpider ID70658091

More details:

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

1-[2-(Difluormethoxy)-5-nitrophenyl]-3-{[2-(1-pyrrolidinyl)-4-pyridinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-[2-(Difluoromethoxy)-5-nitrophenyl]-3-{[2-(1-pyrrolidinyl)-4-pyridinyl]methyl}urea [ACD/IUPAC Name]
1-[2-(Difluorométhoxy)-5-nitrophényl]-3-{[2-(1-pyrrolidinyl)-4-pyridinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[2-(difluoromethoxy)-5-nitrophenyl]-N'-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]- [ACD/Index 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: 591.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.5±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 16.74
ACD/KOC (pH 5.5): 150.12
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 109.53
ACD/KOC (pH 7.4): 982.08
Polar Surface Area: 112 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

Click to predict properties on the Chemicalize site


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