ChemSpider 2D Image | 2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(propylcarbamoyl)benzoic acid | C29H33F2N5O5

2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(propylcarbamoyl)benzoic acid

  • Molecular FormulaC29H33F2N5O5
  • Average mass569.600 Da
  • Monoisotopic mass569.244995 Da
  • ChemSpider ID25042136

More details:

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

2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluor-2-pyridinyl]oxy}-5-(propylcarbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(propylcarbamoyl)benzoic acid [ACD/IUPAC Name]
Acide 2-{[6-(3-carbamimidoylphénoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(propylcarbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[6-[3-(aminoiminomethyl)phenoxy]-4-[bis(1-methylethyl)amino]-3,5-difluoro-2-pyridinyl]oxy]-5-[(propylamino)carbonyl]- [ACD/Index Name]
CHEMBL201853

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 21.61
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 21.58
Polar Surface Area: 151 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

Click to predict properties on the Chemicalize site


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