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Search term: AFXZHRNVMMQHOL-XDHUDOTRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,4S)-1-({4-[2-(2-Bromo-4-fluorophenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide | C24H31BrF2N4O4S

N-[(2S,4S)-1-({4-[2-(2-Bromo-4-fluorophenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide

  • Molecular FormulaC24H31BrF2N4O4S
  • Average mass589.493 Da
  • Monoisotopic mass588.121765 Da
  • ChemSpider ID26388674

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Formamide, N-[(1S,3S)-1-[[[4-[2-(2-bromo-4-fluorophenyl)ethyl]-1-piperidinyl]sulfonyl]methyl]-3-(5-fluoro-2-pyrimidinyl)-1-methylbutyl]-N-hydroxy- [ACD/Index Name]
N-[(2S,4S)-1-({4-[2-(2-Brom-4-fluorphenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluor-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamid [German] [ACD/IUPAC Name]
N-[(2S,4S)-1-({4-[2-(2-Bromo-4-fluorophenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S,4S)-1-({4-[2-(2-Bromo-4-fluorophényl)éthyl]-1-pipéridinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-méthyl-2-pentanyl]-N-hydroxyformamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.63
ACD/KOC (pH 5.5): 2685.64
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 383.62
ACD/KOC (pH 7.4): 2375.89
Polar Surface Area: 112 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 394.5±5.0 cm3

Click to predict properties on the Chemicalize site


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