ChemSpider 2D Image | 1-{4-[6-Isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-1-propanone | C33H35N5O2

1-{4-[6-Isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-1-propanone

  • Molecular FormulaC33H35N5O2
  • Average mass533.663 Da
  • Monoisotopic mass533.279053 Da
  • ChemSpider ID29258873

More details:

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

1-{4-[6-Isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-1-propanon [German] [ACD/IUPAC Name]
1-{4-[6-Isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenyl-1-propanone [ACD/IUPAC Name]
1-{4-[6-Isobutyl-3-(2-naphtyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazépan-1-yl}-3-phényl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[hexahydro-4-[6-(2-methylpropyl)-3-(2-naphthalenyl)isoxazolo[5,4-d]pyrimidin-4-yl]-1H-1,4-diazepin-1-yl]-3-phenyl- [ACD/Index 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: 705.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 158.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14390.23
ACD/KOC (pH 5.5): 32853.42
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14546.73
ACD/KOC (pH 7.4): 33210.73
Polar Surface Area: 75 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

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