ChemSpider 2D Image | (2E)-1-[4-(6-Benzyl-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-one | C32H29N5O2

(2E)-1-[4-(6-Benzyl-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID22839446

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[4-(6-Benzyl-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[4-(6-Benzyl-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[4-(6-Benzyl-3-phényl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazépan-1-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[hexahydro-4-[3-phenyl-6-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-4-yl]-1H-1,4-diazepin-1-yl]-3-phenyl-, (2E)- [ACD/Index 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: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5236.43
ACD/KOC (pH 5.5): 15932.30
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5295.40
ACD/KOC (pH 7.4): 16111.70
Polar Surface Area: 75 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 411.9±3.0 cm3

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