ChemSpider 2D Image | 2-(2,4-Dichlorophenoxy)-1-{4-[2-methyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-piperazinyl}ethanone | C21H21Cl2N5O2

2-(2,4-Dichlorophenoxy)-1-{4-[2-methyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-piperazinyl}ethanone

  • Molecular FormulaC21H21Cl2N5O2
  • Average mass446.330 Da
  • Monoisotopic mass445.107239 Da
  • ChemSpider ID30753101

More details:

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

2-(2,4-Dichlorophenoxy)-1-{4-[2-methyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-(2,4-Dichlorophénoxy)-1-{4-[2-méthyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
2-(2,4-Dichlorphenoxy)-1-{4-[2-methyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(2,4-dichlorophenoxy)-1-[4-[2-methyl-6-(1H-pyrrol-1-yl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
1421515-95-8 [RN]
2-(2,4-dichlorophenoxy)-1-(4-(2-methyl-6-(1H-pyrrol-1-yl)pyrimidin-4-yl)piperazin-1-yl)ethanone
2-(2,4-dichlorophenoxy)-1-{4-[2-methyl-6-(1H-pyrrol-1-yl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.7±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 390.49
ACD/KOC (pH 5.5): 2470.50
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 402.84
ACD/KOC (pH 7.4): 2548.63
Polar Surface Area: 63 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 319.7±7.0 cm3

Click to predict properties on the Chemicalize site


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