Found 44 results

Search term: MF = 'C_{29}H_{30}BrN_{3}O_{4}S'
ChemSpider 2D Image | (4-{4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}phenyl)[6-(diethylamino)-1-benzofuran-2-yl]methanone | C29H30BrN3O4S

(4-{4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}phenyl)[6-(diethylamino)-1-benzofuran-2-yl]methanone

  • Molecular FormulaC29H30BrN3O4S
  • Average mass596.535 Da
  • Monoisotopic mass595.114014 Da
  • ChemSpider ID58880876

More details:

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

(4-{4-[(4-Bromophenyl)sulfonyl]-1-piperazinyl}phenyl)[6-(diethylamino)-1-benzofuran-2-yl]methanone [ACD/IUPAC Name]
(4-{4-[(4-Bromophényl)sulfonyl]-1-pipérazinyl}phényl)[6-(diéthylamino)-1-benzofuran-2-yl]méthanone [French] [ACD/IUPAC Name]
(4-{4-[(4-Bromphenyl)sulfonyl]-1-piperazinyl}phenyl)[6-(diethylamino)-1-benzofuran-2-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[4-[(4-bromophenyl)sulfonyl]-1-piperazinyl]phenyl][6-(diethylamino)-2-benzofuranyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 4536.14
ACD/KOC (pH 5.5): 12208.06
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8073.97
ACD/KOC (pH 7.4): 21729.37
Polar Surface Area: 82 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 422.2±3.0 cm3

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