ChemSpider 2D Image | 2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(isobutylcarbamoyl)benzoic acid | C30H35F2N5O5

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

  • Molecular FormulaC30H35F2N5O5
  • Average mass583.626 Da
  • Monoisotopic mass583.260620 Da
  • ChemSpider ID10131639

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-(isobutylcarbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-{[6-(3-Carbamimidoylphenoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(isobutylcarbamoyl)benzoic acid [ACD/IUPAC Name]
2-{[6-{3-[amino(Imino)methyl]phenoxy}-4-(Diisopropylamino)-3,5-Difluoropyridin-2-Yl]oxy}-5-[(Isobutylamino)carbonyl]benzoic Acid
Acide 2-{[6-(3-carbamimidoylphénoxy)-4-(diisopropylamino)-3,5-difluoro-2-pyridinyl]oxy}-5-(isobutylcarbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[6-[3-[(Z)-aminoiminomethyl]phenoxy]-4-[bis(1-methylethyl)amino]-3,5-difluoro-2-pyridinyl]oxy]-5-[[(2-methylpropyl)amino]carbonyl]- [ACD/Index Name]
CHEMBL205123
GIL

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: 1.589
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 11.03
ACD/KOC (pH 5.5): 37.80
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 11.02
ACD/KOC (pH 7.4): 37.76
Polar Surface Area: 151 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 448.2±7.0 cm3

Click to predict properties on the Chemicalize site


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