ChemSpider 2D Image | N-[(2S)-1-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]sulfonyl}-5-(2-pyrimidinyl)-2-pentanyl]-N-hydroxyformamide | C19H25BrN6O4S

N-[(2S)-1-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]sulfonyl}-5-(2-pyrimidinyl)-2-pentanyl]-N-hydroxyformamide

  • Molecular FormulaC19H25BrN6O4S
  • Average mass513.409 Da
  • Monoisotopic mass512.084106 Da
  • ChemSpider ID8454794

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Formamide, N-[(1S)-1-[[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]sulfonyl]methyl]-4-(2-pyrimidinyl)butyl]-N-hydroxy- [ACD/Index Name]
N-[(2s)-1-[4-(5-Bromopyridin-2-Yl)piperazin-1-Yl]sulfonyl-5-Pyrimidin-2-Yl-Pentan-2-Yl]-N-Hydroxy-Methanamide
N-[(2S)-1-{[4-(5-Brom-2-pyridinyl)-1-piperazinyl]sulfonyl}-5-(2-pyrimidinyl)-2-pentanyl]-N-hydroxyformamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]sulfonyl}-5-(2-pyrimidinyl)-2-pentanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S)-1-{[4-(5-Bromo-2-pyridinyl)-1-pipérazinyl]sulfonyl}-5-(2-pyrimidinyl)-2-pentanyl]-N-hydroxyformamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 709.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.7±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.20
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 66.70
Polar Surface Area: 128 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 319.3±5.0 cm3

Click to predict properties on the Chemicalize site


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