ChemSpider 2D Image | (3R,5R)-7-{2-[(3-Fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid | C27H31F2N3O5

(3R,5R)-7-{2-[(3-Fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC27H31F2N3O5
  • Average mass515.549 Da
  • Monoisotopic mass515.223206 Da
  • ChemSpider ID23329380

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-{2-[(3-Fluorbenzyl)carbamoyl]-4-(4-fluorphenyl)-1-isopropyl-1H-imidazol-5-yl}-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
(3R,5R)-7-{2-[(3-Fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
1H-Imidazole-5-heptanoic acid, 4-(4-fluorophenyl)-2-[[[(3-fluorophenyl)methyl]amino]carbonyl]-β,δ-dihydroxy-1-(1-methylethyl)-, (βR,δR)- [ACD/Index Name]
Acide (3R,5R)-7-{2-[(3-fluorobenzyl)carbamoyl]-4-(4-fluorophényl)-1-isopropyl-1H-imidazol-5-yl}-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
(3R,5R)-7-(2-((3-fluorobenzyl)carbamoyl)-4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5-yl)-3,5-dihydroxyheptanoic acid
(3R,5R)-7-{2-[(3-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(propan-2-yl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520068/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 18.28
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 391.8±7.0 cm3

Click to predict properties on the Chemicalize site


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