ChemSpider 2D Image | 2-[{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}(nonanoyl)amino]decanoic acid | C31H48N4O7S

2-[{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}(nonanoyl)amino]decanoic acid

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID102828609

More details:

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

2-[{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}(nonanoyl)amino]decanoic acid [ACD/IUPAC Name]
2-[{4-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}(nonanoyl)amino]decansäure [German] [ACD/IUPAC Name]
Acide 2-[{4-[(2,6-diméthoxy-4-pyrimidinyl)sulfamoyl]phényl}(nonanoyl)amino]décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 2-[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl](1-oxononyl)amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.3±35.7 °C
Index of Refraction: 1.546
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 751.54
ACD/KOC (pH 5.5): 665.92
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 8.18
ACD/KOC (pH 7.4): 7.24
Polar Surface Area: 156 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 523.7±3.0 cm3

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