ChemSpider 2D Image | N-(1-Naphthyl)-4-[3-(2-naphthyl)-6-propyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide | C34H32N6O2

N-(1-Naphthyl)-4-[3-(2-naphthyl)-6-propyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC34H32N6O2
  • Average mass556.657 Da
  • Monoisotopic mass556.258667 Da
  • ChemSpider ID29255424

More details:

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

1H-1,4-Diazepine-1-carboxamide, hexahydro-N-1-naphthalenyl-4-[3-(2-naphthalenyl)-6-propylisoxazolo[5,4-d]pyrimidin-4-yl]- [ACD/Index Name]
N-(1-Naphthyl)-4-[3-(2-naphthyl)-6-propyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-(1-Naphthyl)-4-[3-(2-naphthyl)-6-propyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-(1-Naphtyl)-4-[3-(2-naphtyl)-6-propyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 424.0±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13398.75
ACD/KOC (pH 5.5): 31203.07
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13565.13
ACD/KOC (pH 7.4): 31590.54
Polar Surface Area: 87 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 428.5±3.0 cm3

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