ChemSpider 2D Image | 4-[(5-Bromo-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepane | C12H18BrN3O2S

4-[(5-Bromo-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepane

  • Molecular FormulaC12H18BrN3O2S
  • Average mass348.259 Da
  • Monoisotopic mass347.030304 Da
  • ChemSpider ID29313497

More details:

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

1H-Azepine, 4-[(5-bromo-2-pyrazinyl)methyl]hexahydro-1-(methylsulfonyl)- [ACD/Index Name]
4-[(5-Brom-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepan [German] [ACD/IUPAC Name]
4-[(5-Bromo-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepane [ACD/IUPAC Name]
4-[(5-Bromo-2-pyrazinyl)méthyl]-1-(méthylsulfonyl)azépane [French] [ACD/IUPAC Name]
1316225-97-4 [RN]
4-(5-Bromo-pyrazin-2-ylmethyl)-1-methanesulfonyl-azepane
4-[(5-BROMOPYRAZIN-2-YL)METHYL]-1-METHANESULFONYLAZEPANE
4-[(5-bromopyrazin-2-yl)methyl]-1-methylsulfonylazepane
MFCD19691557 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 456.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.26
ACD/KOC (pH 5.5): 256.20
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.26
ACD/KOC (pH 7.4): 256.20
Polar Surface Area: 72 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 228.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement