ChemSpider 2D Image | (3S,4R)-4-(2-Chlorophenyl)-3-(4-methylphenyl)-2-phenyl-7-(1-phenylethyl)-1-oxa-2,7-diazaspiro[4.5]decan-10-one | C34H33ClN2O2

(3S,4R)-4-(2-Chlorophenyl)-3-(4-methylphenyl)-2-phenyl-7-(1-phenylethyl)-1-oxa-2,7-diazaspiro[4.5]decan-10-one

  • Molecular FormulaC34H33ClN2O2
  • Average mass537.091 Da
  • Monoisotopic mass536.223083 Da
  • ChemSpider ID34544537

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,4R)-4-(2-Chlorophenyl)-3-(4-methylphenyl)-2-phenyl-7-(1-phenylethyl)-1-oxa-2,7-diazaspiro[4.5]decan-10-one [ACD/IUPAC Name]
(3S,4R)-4-(2-Chlorophényl)-3-(4-méthylphényl)-2-phényl-7-(1-phényléthyl)-1-oxa-2,7-diazaspiro[4.5]décan-10-one [French] [ACD/IUPAC Name]
(3S,4R)-4-(2-Chlorphenyl)-3-(4-methylphenyl)-2-phenyl-7-(1-phenylethyl)-1-oxa-2,7-diazaspiro[4.5]decan-10-on [German] [ACD/IUPAC Name]
1-Oxa-2,7-diazaspiro[4.5]decan-10-one, 4-(2-chlorophenyl)-3-(4-methylphenyl)-2-phenyl-7-(1-phenylethyl)-, (3S,4R)- [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: 644.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 40748.38
ACD/KOC (pH 5.5): 58606.82
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 73193.08
ACD/KOC (pH 7.4): 105270.79
Polar Surface Area: 33 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 421.4±5.0 cm3

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