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Search term: OBJNEXKJNRYAJJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]amino}ethanol | C28H25ClN6O2

2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]amino}ethanol

  • Molecular FormulaC28H25ClN6O2
  • Average mass512.990 Da
  • Monoisotopic mass512.172729 Da
  • ChemSpider ID24678828

More details:

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

2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]amino}ethanol [ACD/IUPAC Name]
2-{[2-Amino-6-({2-(2-chlorophényl)-5-[4-(5-pyrimidinyloxy)phényl]-1H-pyrrol-1-yl}méthyl)-3-pyridinyl]amino}éthanol [French] [ACD/IUPAC Name]
2-{[2-Amino-6-({2-(2-chlorphenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]amino}ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[2-amino-6-[[2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl]methyl]-3-pyridinyl]amino]- [ACD/Index Name]
2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-ylamino)ethanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.1±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1000.52
ACD/KOC (pH 5.5): 4756.81
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1099.90
ACD/KOC (pH 7.4): 5229.31
Polar Surface Area: 111 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 379.6±7.0 cm3

Click to predict properties on the Chemicalize site


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