ChemSpider 2D Image | 3-{[1-(4-Chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-6-(4-morpholinylcarbonyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-4-one | C27H25ClN6O4

3-{[1-(4-Chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-6-(4-morpholinylcarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one

  • Molecular FormulaC27H25ClN6O4
  • Average mass532.978 Da
  • Monoisotopic mass532.162598 Da
  • ChemSpider ID13065424

More details:

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

3-{[1-(4-Chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-6-(4-morpholinylcarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one [ACD/IUPAC Name]
3-{[1-(4-Chlorophényl)-1H-tétrazol-5-yl](phényl)méthyl}-6-(4-morpholinylcarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-én-4-one [French] [ACD/IUPAC Name]
3-{[1-(4-Chlorphenyl)-1H-tetrazol-5-yl](phenyl)methyl}-6-(4-morpholinylcarbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-on [German] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindol-1(6H)-one, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]phenylmethyl]-2,3,7,7a-tetrahydro-7-(4-morpholinylcarbonyl)- [ACD/Index Name]
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-7-(morpholin-4-ylcarbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 822.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.4±37.1 °C
Index of Refraction: 1.772
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.85
ACD/KOC (pH 5.5): 477.86
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.85
ACD/KOC (pH 7.4): 477.86
Polar Surface Area: 103 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

Click to predict properties on the Chemicalize site


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