ChemSpider 2D Image | (1R,3S,5R)-2-[(3-Acetyl-1H-indol-1-yl)acetyl]-N-[3-bromo-5-(1H-tetrazol-5-yl)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide | C25H22BrN7O3

(1R,3S,5R)-2-[(3-Acetyl-1H-indol-1-yl)acetyl]-N-[3-bromo-5-(1H-tetrazol-5-yl)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

  • Molecular FormulaC25H22BrN7O3
  • Average mass548.391 Da
  • Monoisotopic mass547.096741 Da
  • ChemSpider ID58887395

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S,5R)-2-[(3-Acetyl-1H-indol-1-yl)acetyl]-N-[3-brom-5-(1H-tetrazol-5-yl)phenyl]-2-azabicyclo[3.1.0]hexan-3-carboxamid [German] [ACD/IUPAC Name]
(1R,3S,5R)-2-[(3-Acetyl-1H-indol-1-yl)acetyl]-N-[3-bromo-5-(1H-tetrazol-5-yl)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide [ACD/IUPAC Name]
(1R,3S,5R)-2-[2-(3-Acétyl-1H-indol-1-yl)acétyl]-N-[3-bromo-5-(1H-tétrazol-5-yl)phényl]-2-azabicyclo[3.1.0]hexane-3-carboxamide [French] [ACD/IUPAC Name]
2-Azabicyclo[3.1.0]hexane-3-carboxamide, 2-[2-(3-acetyl-1H-indol-1-yl)acetyl]-N-[3-bromo-5-(1H-tetrazol-5-yl)phenyl]-, (1R,3S,5R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.818
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 6.64
ACD/KOC (pH 5.5): 55.34
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 13.31
Polar Surface Area: 126 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 72.6±7.0 dyne/cm
Molar Volume: 312.1±7.0 cm3

Click to predict properties on the Chemicalize site


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