Found 28 results

Search term: MF = 'C_{38}H_{36}N_{4}O_{3}'
ChemSpider 2D Image | 6-{6-(2,3-Dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-5-phenyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline | C38H36N4O3

6-{6-(2,3-Dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-5-phenyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline

  • Molecular FormulaC38H36N4O3
  • Average mass596.717 Da
  • Monoisotopic mass596.278748 Da
  • ChemSpider ID121982747

More details:

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

1,3-Dioxolo[4,5-g]isoquinoline, 6-[6-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]-5,6,7,8-tetrahydro-5-phenyl- [ACD/Index Name]
6-{6-(2,3-Dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-5-phenyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin [German] [ACD/IUPAC Name]
6-{6-(2,3-Dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-5-phényl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléine [French] [ACD/IUPAC Name]
6-{6-(2,3-Dihydro-4H-1,4-benzoxazin-4-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-5-phenyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 83913.34
ACD/KOC (pH 5.5): 80045.16
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 303065.41
ACD/KOC (pH 7.4): 289094.94
Polar Surface Area: 60 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 478.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement