ChemSpider 2D Image | Edonentan anhydrous | C28H32N4O5S

Edonentan anhydrous

  • Molecular FormulaC28H32N4O5S
  • Average mass536.643 Da
  • Monoisotopic mass536.209351 Da
  • ChemSpider ID137949

More details:

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

Edonentan anhydrous [USAN]
210891-04-6 [RN]
Butanamide, N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]-2-yl]methyl]-N,3,3-trimethyl- [ACD/Index Name]
Edonentan [INN] [USAN]
MFCD05260689
N-((2'-(((4,5-dimethyl-3-isoxazolyl)amino)sulfonyl)-4-(2-oxazolyl)(1,1'-biphenyl)-2-yl)methyl)-N,3,3-trimethylbutanamide
N-({2'-[(4,5-Dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-(1,3-oxazol-2-yl)-2-biphenylyl}methyl)-N,3,3-trimethylbutanamid [German] [ACD/IUPAC Name]
N-({2'-[(4,5-Dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-(1,3-oxazol-2-yl)-2-biphenylyl}methyl)-N,3,3-trimethylbutanamide [ACD/IUPAC Name]
N-({2'-[(4,5-Diméthyl-1,2-oxazol-3-yl)sulfamoyl]-4-(1,3-oxazol-2-yl)-2-biphénylyl}méthyl)-N,3,3-triméthylbutanamide [French] [ACD/IUPAC Name]
N-({2'-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]-4-(1,3-oxazol-2-yl)biphenyl-2-yl}methyl)-N,3,3-trimethylbutanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8178 [DBID]
BMS-207940 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.1±35.7 °C
Index of Refraction: 1.585
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3422.30
ACD/KOC (pH 5.5): 11672.62
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 949.09
ACD/KOC (pH 7.4): 3237.11
Polar Surface Area: 127 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

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