ChemSpider 2D Image | (3R,5R)-7-{1-(4-Fluorophenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoate | C28H33FN3O5

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

  • Molecular FormulaC28H33FN3O5
  • Average mass510.578 Da
  • Monoisotopic mass510.240967 Da
  • ChemSpider ID34964381

  • Charge - Charge

    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)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoate [ACD/IUPAC Name]
(3R,5R)-7-{1-(4-Fluorophényl)-4-isopropyl-3-[(4-méthylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoate [French] [ACD/IUPAC Name]
(3R,5R)-7-{1-(4-Fluorphenyl)-4-isopropyl-3-[(4-methylbenzyl)carbamoyl]-1H-pyrazol-5-yl}-3,5-dihydroxyheptanoat [German] [ACD/IUPAC Name]
1H-Pyrazole-5-heptanoic acid, 1-(4-fluorophenyl)-β,δ-dihydroxy-4-(1-methylethyl)-3-[[[(4-methylphenyl)methyl]amino]carbonyl]-, ion(1-), (βR,δR)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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