ChemSpider 2D Image | Brilaroxazine | C22H25Cl2N3O3

Brilaroxazine

  • Molecular FormulaC22H25Cl2N3O3
  • Average mass450.358 Da
  • Monoisotopic mass449.127289 Da
  • ChemSpider ID64853808

More details:






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

1239729-06-6 [RN]
2H-1,4-Benzoxazin-3(4H)-one, 6-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- [ACD/Index Name]
6-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-{4-[4-(2,3-Dichlorophényl)-1-pipérazinyl]butoxy}-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
6-{4-[4-(2,3-Dichlorphenyl)-1-piperazinyl]butoxy}-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
Brilaroxazine

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

X8L60BA01I [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 643.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 76.25
ACD/KOC (pH 5.5): 252.01
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2373.79
ACD/KOC (pH 7.4): 7845.21
Polar Surface Area: 54 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 346.0±3.0 cm3

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