ChemSpider 2D Image | 2-{4-[(2,4-Dichlorophenoxy)acetyl]-1,4-diazepan-1-yl}-6-(4-fluorophenyl)-4(3H)-pyrimidinone | C23H21Cl2FN4O3

2-{4-[(2,4-Dichlorophenoxy)acetyl]-1,4-diazepan-1-yl}-6-(4-fluorophenyl)-4(3H)-pyrimidinone

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID66433564

More details:

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

2-{4-[(2,4-Dichlorophenoxy)acetyl]-1,4-diazepan-1-yl}-6-(4-fluorophenyl)-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-{4-[(2,4-Dichlorphenoxy)acetyl]-1,4-diazepan-1-yl}-6-(4-fluorphenyl)-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-{4-[2-(2,4-Dichlorophénoxy)acétyl]-1,4-diazépan-1-yl}-6-(4-fluorophényl)-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-[4-[2-(2,4-dichlorophenoxy)acetyl]hexahydro-1H-1,4-diazepin-1-yl]-6-(4-fluorophenyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 101.73
ACD/KOC (pH 5.5): 945.48
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.85
ACD/KOC (pH 7.4): 965.20
Polar Surface Area: 74 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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