ChemSpider 2D Image | (1R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C18H20N2O3S

(1R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC18H20N2O3S
  • Average mass344.428 Da
  • Monoisotopic mass344.119476 Da
  • ChemSpider ID48065666

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
(1R)-11-[(4-Methylphenyl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
(1R)-11-[(4-Méthylphényl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(4-methylphenyl)sulfonyl]-, (1R)- [ACD/Index Name]
1195126-66-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.7±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.67
ACD/KOC (pH 5.5): 249.45
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.67
ACD/KOC (pH 7.4): 249.45
Polar Surface Area: 66 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 246.8±5.0 cm3

Click to predict properties on the Chemicalize site


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