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Search term: ICCQWMPCYVXIPA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S,4S)-1-({4-[2-(4,6-Dimethyl-3-pyridinyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide | C25H36FN5O4S

N-[(2S,4S)-1-({4-[2-(4,6-Dimethyl-3-pyridinyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide

  • Molecular FormulaC25H36FN5O4S
  • Average mass521.648 Da
  • Monoisotopic mass521.247192 Da
  • ChemSpider ID26387780

  • 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-(4,6-dimethyl-3-pyridinyl)ethyl]-1-piperidinyl]sulfonyl]methyl]-3-(5-fluoro-2-pyrimidinyl)-1-methylbutyl]-N-hydroxy- [ACD/Index Name]
N-[(2S,4S)-1-({4-[2-(4,6-Dimethyl-3-pyridinyl)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-(4,6-Dimethyl-3-pyridinyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S,4S)-1-({4-[2-(4,6-Diméthyl-3-pyridinyl)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: 1.3±0.1 g/cm3
Boiling Point: 681.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 365.8±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 33.76
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 56.08
ACD/KOC (pH 7.4): 554.46
Polar Surface Area: 125 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 401.5±5.0 cm3

Click to predict properties on the Chemicalize site


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