Found 21 results

Search term: MF = 'C_{28}H_{36}N_{2}O_{9}S'
ChemSpider 2D Image | 4-{2-({3-[(3,4-Dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-[4-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}phenyl acetate | C28H36N2O9S

4-{2-({3-[(3,4-Dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-[4-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}phenyl acetate

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID121711496

More details:

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

4-{2-({3-[(3,4-Dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-[4-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{2-({3-[(3,4-Dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-[4-(hydroxymethyl)-1-piperidinyl]-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{2-({3-[(3,4-diméthoxyphényl)sulfonyl]propanoyl}amino)-3-[4-(hydroxyméthyl)-1-pipéridinyl]-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Propanamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[4-(hydroxymethyl)-1-piperidinyl]-2-oxoethyl]-3-[(3,4-dimethoxyphenyl)sulfonyl]- [ACD/Index 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: 851.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 468.6±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.35
ACD/KOC (pH 5.5): 172.38
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.35
ACD/KOC (pH 7.4): 172.38
Polar Surface Area: 157 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 452.2±3.0 cm3

Click to predict properties on the Chemicalize site


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