ChemSpider 2D Image | 2-{6-Amino-5-[bis(2-methoxyethyl)carbamoyl]-1-isobutyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}benzoic acid | C25H31F3N4O6

2-{6-Amino-5-[bis(2-methoxyethyl)carbamoyl]-1-isobutyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}benzoic acid

  • Molecular FormulaC25H31F3N4O6
  • Average mass540.532 Da
  • Monoisotopic mass540.219543 Da
  • ChemSpider ID119862780

More details:

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

2-{6-Amino-5-[bis(2-methoxyethyl)carbamoyl]-1-isobutyl-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}benzoesäure [German] [ACD/IUPAC Name]
2-{6-Amino-5-[bis(2-methoxyethyl)carbamoyl]-1-isobutyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}benzoic acid [ACD/IUPAC Name]
Acide 2-{6-amino-5-[bis(2-méthoxyéthyl)carbamoyl]-1-isobutyl-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[6-amino-5-[[bis(2-methoxyethyl)amino]carbonyl]-1,4-dihydro-1-(2-methylpropyl)-3-(trifluoromethyl)pyrano[2,3-c]pyrazol-4-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 634.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.7±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 24.41
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 129 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 393.9±7.0 cm3

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