ChemSpider 2D Image | Budiodarone | C27H31I2NO5

Budiodarone

  • Molecular FormulaC27H31I2NO5
  • Average mass703.348 Da
  • Monoisotopic mass703.029114 Da
  • ChemSpider ID8009056
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Butanyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate [ACD/IUPAC Name]
(2S)-2-Butanyl-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodbenzoyl}-1-benzofuran-2-yl)acetat [German] [ACD/IUPAC Name]
(3-{4-[2-(Diéthylamino)éthoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acétate de (2S)-2-butanyle [French] [ACD/IUPAC Name]
(S)-sec-Butyl 2-(3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)benzofuran-2-yl)acetate
2-Benzofuranacetic acid, 3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-, (1S)-1-methylpropyl ester [ACD/Index Name]
335148-45-3 [RN]
9143
Budiodarona [Spanish] [INN]
Budiodarone [French] [INN]
More...

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

ATI-2042 [DBID]
F5Y53150C8 [DBID]
UNII:F5Y53150C8 [DBID]
UNII-F5Y53150C8 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 135.74
ACD/KOC (pH 5.5): 160.86
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 1660.50
ACD/KOC (pH 7.4): 1967.79
Polar Surface Area: 69 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 445.1±3.0 cm3

Click to predict properties on the Chemicalize site





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