ChemSpider 2D Image | 1'-{[1-(3-Chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one | C31H38ClN3O4

1'-{[1-(3-Chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID114953675

More details:

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

1'-{[1-(3-Chlor-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-on [German] [ACD/IUPAC Name]
1'-{[1-(3-Chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one [ACD/IUPAC Name]
1'-{[1-(3-Chloro-4-méthylphényl)-5-oxo-3-pyrrolidinyl]carbonyl}-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one [French] [ACD/IUPAC Name]
Spiro[1,5-benzoxaazacyclotridecine-7(6H),4'-piperidin]-6-one, 1'-[[1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]carbonyl]-2,3,4,5,8,9,10,11-octahydro- [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: 852.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 469.3±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3979.35
ACD/KOC (pH 5.5): 13132.25
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3979.36
ACD/KOC (pH 7.4): 13132.29
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 430.0±5.0 cm3

Click to predict properties on the Chemicalize site


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