ChemSpider 2D Image | 1-[5-(3-Fluorophenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane | C18H18FN7

1-[5-(3-Fluorophenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane

  • Molecular FormulaC18H18FN7
  • Average mass351.381 Da
  • Monoisotopic mass351.160767 Da
  • ChemSpider ID23058529

More details:

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

1-[5-(3-Fluorophenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane [ACD/IUPAC Name]
1-[5-(3-Fluorophényl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1-[5-(3-Fluorphenyl)-1,2,4-triazin-3-yl]-4-(2-pyrimidinyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]hexahydro-4-(2-pyrimidinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 17.61
ACD/KOC (pH 5.5): 244.71
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.14
ACD/KOC (pH 7.4): 349.48
Polar Surface Area: 71 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

Click to predict properties on the Chemicalize site


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