ChemSpider 2D Image | trans-3-Amino-1-methyl-3-[4-(3-phenylimidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]cyclobutanol | C26H24N4O2

trans-3-Amino-1-methyl-3-[4-(3-phenylimidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]cyclobutanol

  • Molecular FormulaC26H24N4O2
  • Average mass424.494 Da
  • Monoisotopic mass424.189911 Da
  • ChemSpider ID64854605
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1402602-94-1 [RN]
Cyclobutanol, 3-amino-1-methyl-3-[4-(3-phenyl-5H-imidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]-, trans- [ACD/Index Name]
trans-3-Amino-1-methyl-3-[4-(3-phenylimidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]cyclobutanol [German] [ACD/IUPAC Name]
trans-3-Amino-1-methyl-3-[4-(3-phenylimidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]cyclobutanol [ACD/IUPAC Name]
trans-3-Amino-1-méthyl-3-[4-(3-phénylimidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phényl]cyclobutanol [French] [ACD/IUPAC Name]
3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol
Tas-117
Unii-QI52W1ziib

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

QI52W1ZIIB [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 56.12
Polar Surface Area: 86 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

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