ChemSpider 2D Image | (3R,5R)-7-[4-(Benzylcarbamoyl)-2-(4-fluorophenyl)-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoate | C27H31FN3O5

(3R,5R)-7-[4-(Benzylcarbamoyl)-2-(4-fluorophenyl)-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoate

  • Molecular FormulaC27H31FN3O5
  • Average mass496.551 Da
  • Monoisotopic mass496.225311 Da
  • ChemSpider ID34892987

  • 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-[4-(Benzylcarbamoyl)-2-(4-fluorophenyl)-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoate [ACD/IUPAC Name]
(3R,5R)-7-[4-(Benzylcarbamoyl)-2-(4-fluorophényl)-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoate [French] [ACD/IUPAC Name]
(3R,5R)-7-[4-(Benzylcarbamoyl)-2-(4-fluorphenyl)-5-isopropyl-1H-imidazol-1-yl]-3,5-dihydroxyheptanoat [German] [ACD/IUPAC Name]
1H-Imidazole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-4-[[(phenylmethyl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 17.29
ACD/LogD (pH 7.4): -0.92
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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