ChemSpider 2D Image | O-DEMETHYL APREMILAST | C21H22N2O7S

O-DEMETHYL APREMILAST

  • Molecular FormulaC21H22N2O7S
  • Average mass446.474 Da
  • Monoisotopic mass446.114777 Da
  • ChemSpider ID52084024

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1384441-38-6 [RN]
Acetamide, N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]- [ACD/Index Name]
N-{2-[(1S)-1-(3-Ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamid [German] [ACD/IUPAC Name]
N-{2-[(1S)-1-(3-Ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide [ACD/IUPAC Name]
N-{2-[(1S)-1-(3-Éthoxy-4-hydroxyphényl)-2-(méthylsulfonyl)éthyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acétamide [French] [ACD/IUPAC Name]
O-DEMETHYL APREMILAST
Acetamide,N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
N-[2-[(1S)-1-(3-Ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4
N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide

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

0SUF2IX83T [DBID]
UNII:0SUF2IX83T [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.48
ACD/KOC (pH 5.5): 101.74
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.46
ACD/KOC (pH 7.4): 101.35
Polar Surface Area: 138 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 307.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement