Found 64 results

Search term: MF = 'C_{22}H_{18}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | (5S)-3,5-Bis(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazole | C22H18Br2N2O2S

(5S)-3,5-Bis(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazole

  • Molecular FormulaC22H18Br2N2O2S
  • Average mass534.263 Da
  • Monoisotopic mass531.945557 Da
  • ChemSpider ID5467439

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-3,5-Bis(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazole [ACD/IUPAC Name]
(5S)-3,5-Bis(4-bromophényl)-1-[(4-méthylphényl)sulfonyl]-4,5-dihydro-1H-pyrazole [French] [ACD/IUPAC Name]
(5S)-3,5-Bis(4-bromphenyl)-1-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrazol [German] [ACD/IUPAC Name]
1H-Pyrazole, 3,5-bis(4-bromophenyl)-4,5-dihydro-1-[(4-methylphenyl)sulfonyl]-, (5S)- [ACD/Index Name]

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

ZINC04182260 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.1±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11003.57
ACD/KOC (pH 5.5): 27196.86
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11003.57
ACD/KOC (pH 7.4): 27196.86
Polar Surface Area: 58 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 332.5±7.0 cm3

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