ChemSpider 2D Image | (3R,5R)-7-{1-(4-Fluorophenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid | C28H34FN3O5

(3R,5R)-7-{1-(4-Fluorophenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC28H34FN3O5
  • Average mass511.585 Da
  • Monoisotopic mass511.248260 Da
  • ChemSpider ID9737323
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,5R)-7-[1-(4-fluorophenyl)-3-[(4-methylbenzyl)carbamoyl]-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-{1-(4-Fluorophenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-{1-(4-Fluorphenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
1H-Pyrazole-5-heptanoic acid, 1-(4-fluorophenyl)-β,δ-dihydroxy-4-(1-methylethyl)-3-[[[(4-methylphenyl)methyl]amino]carbonyl]-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{1-(4-fluorophényl)-4-isopropyl-3-[(4-méthylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
(3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxy-heptanoic acid
(βR,δR)-1-(4-FLUOROPHENYL)-β,δ-DIHYDROXY-4-(1-METHYLETHYL)-3-[[[(4-METHYLPHENYL)METHYL]AMINO]CARBONYL]-1H-PYRAZOLE-5-HEPTANOIC ACID
1H-Pyrazole-5-heptanoic acid, 1-(4-fluorophenyl)-b,d-dihydroxy-4-(1-Methylethyl)-3-[[[(4-Methylphenyl)Methyl]aMino]carbonyl]-, (bR,dR)-
887701-48-6 [RN]
pyrazole, 3f

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 24.20
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 404.1±7.0 cm3

Click to predict properties on the Chemicalize site






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