ChemSpider 2D Image | (2S)-4,11-Diazaheptacyclo[12.6.6.0~2,13~.0~3,11~.0~5,10~.0~15,20~.0~21,26~]hexacosa-3,5,7,9,15,17,19,21,23,25-decaen-12-one | C24H16N2O

(2S)-4,11-Diazaheptacyclo[12.6.6.02,13.03,11.05,10.015,20.021,26]hexacosa-3,5,7,9,15,17,19,21,23,25-decaen-12-one

  • Molecular FormulaC24H16N2O
  • Average mass348.397 Da
  • Monoisotopic mass348.126251 Da
  • ChemSpider ID25024026

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(2S)-4,11-Diazaheptacyclo[12.6.6.02,13.03,11.05,10.015,20.021,26]hexacosa-3,5,7,9,15,17,19,21,23,25-decaen-12-on [German] [ACD/IUPAC Name]
(2S)-4,11-Diazaheptacyclo[12.6.6.02,13.03,11.05,10.015,20.021,26]hexacosa-3,5,7,9,15,17,19,21,23,25-decaen-12-one [ACD/IUPAC Name]
(2S)-4,11-Diazaheptacyclo[12.6.6.02,13.03,11.05,10.015,20.021,26]hexacosa-3,5,7,9,15,17,19,21,23,25-décaén-12-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 582.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.845
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2810.41
ACD/KOC (pH 5.5): 10235.36
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2813.15
ACD/KOC (pH 7.4): 10245.35
Polar Surface Area: 35 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 232.0±7.0 cm3

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