ChemSpider 2D Image | N-[(2S,4S)-1-({4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide | C23H34FN5O5S

N-[(2S,4S)-1-({4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide

  • Molecular FormulaC23H34FN5O5S
  • Average mass511.610 Da
  • Monoisotopic mass511.226471 Da
  • ChemSpider ID26328724

  • 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-(3,5-dimethyl-4-isoxazolyl)ethyl]-1-piperidinyl]sulfonyl]methyl]-3-(5-fluoro-2-pyrimidinyl)-1-methylbutyl]-N-hydroxy- [ACD/Index Name]
N-[(2S,4S)-1-({4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)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-(3,5-Dimethyl-1,2-oxazol-4-yl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S,4S)-1-({4-[2-(3,5-Diméthyl-1,2-oxazol-4-yl)éthyl]-1-pipéridinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-méthyl-2-pentanyl]-N-hydroxyformamide [French] [ACD/IUPAC Name]
N-[(2s,4s)-1-({4-[2-(3,5-Dimethyl-1,2-Oxazol-4-Yl)ethyl]piperidin-1-Yl}sulfonyl)-4-(5-Fluoropyrimidin-2-Yl)-2-Methylpentan-2-Yl]-N-Hydroxyformamide
QHF

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.79
ACD/KOC (pH 5.5): 356.26
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 22.82
ACD/KOC (pH 7.4): 315.17
Polar Surface Area: 138 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

Click to predict properties on the Chemicalize site


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