ChemSpider 2D Image | AZD7687 | C21H25N3O3

AZD7687

  • Molecular FormulaC21H25N3O3
  • Average mass367.441 Da
  • Monoisotopic mass367.189606 Da
  • ChemSpider ID28637756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-4-[4-(6-Carbamoyl-3,5-dimethyl-2-pyrazinyl)phenyl]cyclohexyl}acetic acid [ACD/IUPAC Name]
{trans-4-[4-(6-Carbamoyl-3,5-dimethyl-2-pyrazinyl)phenyl]cyclohexyl}essigsäure [German] [ACD/IUPAC Name]
1166827-44-6 [RN]
6QTJ9P2NYT
Acide {trans-4-[4-(6-carbamoyl-3,5-diméthyl-2-pyrazinyl)phényl]cyclohexyl}acétique [French] [ACD/IUPAC Name]
AZD7687
Cyclohexaneacetic acid, 4-[4-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]phenyl]-, trans- [ACD/Index Name]
UNII:6QTJ9P2NYT
[1166827-44-6] [RN]
2-((1R,4R)-4-(4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl)cyclohexyl)acetic acid
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AZD7687 is a potent and selective DGAT1 inhibitor with an IC50 value of 80 nM (hDGAT1). MedChem Express
      AZD7687 is a potent and selective DGAT1 inhibitor with an IC50 value of 80 nM (hDGAT1).; IC50 value: 80 nM [1]; Target: DGAT1; in vitro: Plasma AZD7687 exposure was measured repeatedly. MedChem Express HY-15497
      DGAT MedChem Express HY-15497
      Metabolism/Protease MedChem Express HY-15497
      Metabolism/Protease; MedChem Express HY-15497

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 37.73
ACD/KOC (pH 5.5): 269.67
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.28
Polar Surface Area: 106 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 305.8±3.0 cm3

Click to predict properties on the Chemicalize site


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