ChemSpider 2D Image | 2-{2-[(3-Carbamoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid | C28H30N4O7

2-{2-[(3-Carbamoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid

  • Molecular FormulaC28H30N4O7
  • Average mass534.560 Da
  • Monoisotopic mass534.211426 Da
  • ChemSpider ID30824999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{2-[(3-Carbamoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{2-[(3-Carbamoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
2-{2-[(3-Carbamoylphenyl)carbamoyl]-6-Methoxypyridin-3-Yl}-5-{[(2s)-1-Hydroxy-3,3-Dimethylbutan-2-Yl]carbamoyl}benzoic Acid
Acide 2-{2-[(3-carbamoylphényl)carbamoyl]-6-méthoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-diméthyl-2-butanyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[[[3-(aminocarbonyl)phenyl]amino]carbonyl]-6-methoxy-3-pyridinyl]-5-[[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]carbonyl]- [ACD/Index Name]
1NL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.1±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 402.9±3.0 cm3

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