Found 1 result

Search term: GCBXPOHPNDVIFD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{2-[(1-Amino-6-isoquinolinyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid | C30H31N5O6

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

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID30824995

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.0±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 177 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 413.8±3.0 cm3

Click to predict properties on the Chemicalize site


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