ChemSpider 2D Image | (3R,5R)-7-[1-(4-Fluorophenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid | C29H36FN3O5

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

  • Molecular FormulaC29H36FN3O5
  • Average mass525.612 Da
  • Monoisotopic mass525.263916 Da
  • ChemSpider ID9831340

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[1-(4-Fluorophenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[1-(4-Fluorphenyl)-4-isopropyl-3-{methyl[(1R)-1-phenylethyl]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-[[methyl[(1R)-1-phenylethyl]amino]carbonyl]-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-[1-(4-fluorophényl)-4-isopropyl-3-{méthyl[(1R)-1-phényléthyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1207355/
RIE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 28.72
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 425.3±7.0 cm3

Click to predict properties on the Chemicalize site


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