ChemSpider 2D Image | 4-((3-Chloropyrazin-2-yl)methyl)-1-(methylsulfonyl)azepane | C12H18ClN3O2S

4-((3-Chloropyrazin-2-yl)methyl)-1-(methylsulfonyl)azepane

  • Molecular FormulaC12H18ClN3O2S
  • Average mass303.808 Da
  • Monoisotopic mass303.080811 Da
  • ChemSpider ID29312940

More details:

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

1316219-27-8 [RN]
1H-Azepine, 4-[(3-chloro-2-pyrazinyl)methyl]hexahydro-1-(methylsulfonyl)- [ACD/Index Name]
4-((3-Chloropyrazin-2-yl)methyl)-1-(methylsulfonyl)azepane
4-[(3-Chlor-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepan [German] [ACD/IUPAC Name]
4-[(3-Chloro-2-pyrazinyl)methyl]-1-(methylsulfonyl)azepane [ACD/IUPAC Name]
4-[(3-Chloro-2-pyrazinyl)méthyl]-1-(méthylsulfonyl)azépane [French] [ACD/IUPAC Name]
4-(3-Chloro-pyrazin-2-ylmethyl)-1-methanesulfonyl-azepane
4-[(3-CHLOROPYRAZIN-2-YL)METHYL]-1-METHANESULFONYLAZEPANE
4-[(3-chloropyrazin-2-yl)methyl]-1-methylsulfonylazepane
MFCD19691636 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.5±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.32
ACD/KOC (pH 5.5): 233.91
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.32
ACD/KOC (pH 7.4): 233.91
Polar Surface Area: 72 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 226.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement