ChemSpider 2D Image | 2-({6-(3-Carbamimidoylphenoxy)-3,5-difluoro-4-[(4-phenyl-2-butanyl)amino]-2-pyridinyl}oxy)-5-(diethylamino)benzoic acid | C33H35F2N5O4

2-({6-(3-Carbamimidoylphenoxy)-3,5-difluoro-4-[(4-phenyl-2-butanyl)amino]-2-pyridinyl}oxy)-5-(diethylamino)benzoic acid

  • Molecular FormulaC33H35F2N5O4
  • Average mass603.659 Da
  • Monoisotopic mass603.265686 Da
  • ChemSpider ID25045189

More details:

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

2-({6-(3-Carbamimidoylphenoxy)-3,5-difluor-4-[(4-phenyl-2-butanyl)amino]-2-pyridinyl}oxy)-5-(diethylamino)benzoesäure [German] [ACD/IUPAC Name]
2-({6-(3-Carbamimidoylphenoxy)-3,5-difluoro-4-[(4-phenyl-2-butanyl)amino]-2-pyridinyl}oxy)-5-(diethylamino)benzoic acid [ACD/IUPAC Name]
Acide 2-({6-(3-carbamimidoylphénoxy)-3,5-difluoro-4-[(4-phényl-2-butanyl)amino]-2-pyridinyl}oxy)-5-(diéthylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-5-(diethylamino)- [ACD/Index Name]
CHEMBL196652

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.2±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 162.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 46.93
ACD/KOC (pH 5.5): 95.56
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 68.34
ACD/KOC (pH 7.4): 139.17
Polar Surface Area: 134 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 473.2±7.0 cm3

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