ChemSpider 2D Image | N-[(2S,4S)-1-({4-[2-(2,4-Dichlorophenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide | C24H31Cl2FN4O4S

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

  • Molecular FormulaC24H31Cl2FN4O4S
  • Average mass561.497 Da
  • Monoisotopic mass560.142700 Da
  • ChemSpider ID26388149

  • 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-(2,4-dichlorophenyl)ethyl]-1-piperidinyl]sulfonyl]methyl]-3-(5-fluoro-2-pyrimidinyl)-1-methylbutyl]-N-hydroxy- [ACD/Index Name]
N-[(2S,4S)-1-({4-[2-(2,4-Dichlorophenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluoro-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamide [ACD/IUPAC Name]
N-[(2S,4S)-1-({4-[2-(2,4-Dichlorophényl)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-(2,4-Dichlorphenyl)ethyl]-1-piperidinyl}sulfonyl)-4-(5-fluor-2-pyrimidinyl)-2-methyl-2-pentanyl]-N-hydroxyformamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.0±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1225.09
ACD/KOC (pH 5.5): 5648.12
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1083.80
ACD/KOC (pH 7.4): 4996.70
Polar Surface Area: 112 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

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