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

(4-Ethylphenyl){4-[6-isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone

  • Molecular FormulaC33H35N5O2
  • Average mass533.663 Da
  • Monoisotopic mass533.279053 Da
  • ChemSpider ID29258802

More details:

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

(4-Ethylphenyl){4-[6-isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
(4-Ethylphenyl){4-[6-isobutyl-3-(2-naphthyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
(4-Éthylphényl){4-[6-isobutyl-3-(2-naphtyl)[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-ethylphenyl)[hexahydro-4-[6-(2-methylpropyl)-3-(2-naphthalenyl)isoxazolo[5,4-d]pyrimidin-4-yl]-1H-1,4-diazepin-1-yl]- [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: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6575.74
ACD/KOC (pH 5.5): 18755.31
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6647.25
ACD/KOC (pH 7.4): 18959.27
Polar Surface Area: 75 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 442.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement