ChemSpider 2D Image | compound 31 [PMID: 23374866] | C20H22N4O3

compound 31 [PMID: 23374866]

  • Molecular FormulaC20H22N4O3
  • Average mass366.414 Da
  • Monoisotopic mass366.169189 Da
  • ChemSpider ID29417189

More details:

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

3-Butyn-2-ol, 4-[3-[2-amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl]-2-methyl- [ACD/Index Name]
4-{3-[2-Amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl}-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-{3-[2-Amino-5-(2-methoxyethoxy)-4-pyrimidinyl]-1H-indol-5-yl}-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-{3-[2-Amino-5-(2-méthoxyéthoxy)-4-pyrimidinyl]-1H-indol-5-yl}-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
compound 31 [PMID: 23374866]
13V
4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol
4-{3-[2-Amino-5-(2-Methoxyethoxy)pyrimidin-4-Yl]-1h-Indol-5-Yl}-2-Methylbut-3-Yn-2-Ol
compound 31 [PMID 23374866]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.91
ACD/KOC (pH 5.5): 560.36
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.88
ACD/KOC (pH 7.4): 571.41
Polar Surface Area: 106 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 275.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement