ChemSpider 2D Image | (3R,5R)-7-[3-(4-Fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid | C30H35FN2O5

(3R,5R)-7-[3-(4-Fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid

  • Molecular FormulaC30H35FN2O5
  • Average mass522.608 Da
  • Monoisotopic mass522.252991 Da
  • ChemSpider ID17347443

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-7-[3-(4-Fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid [ACD/IUPAC Name]
(3R,5R)-7-[3-(4-Fluorphenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptansäure [German] [ACD/IUPAC Name]
Acide (3R,5R)-7-[3-(4-fluorophényl)-1-isopropyl-8-oxo-7-phényl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azépin-2-yl]-3,5-dihydroxyheptanoïque [French] [ACD/IUPAC Name]
Pyrrolo[2,3-c]azepine-2-heptanoic acid, 3-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-β,δ-dihydroxy-1-(1-methylethyl)-8-oxo-7-phenyl-, (βR,δR)- [ACD/Index Name]
HR2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521039/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 7.20
ACD/KOC (pH 5.5): 60.48
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 103 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 409.9±7.0 cm3

Click to predict properties on the Chemicalize site


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