ChemSpider 2D Image | (6E)-7-[7-(4-Biphenylylmethyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-6-heptenoate | C33H32FN2O4

(6E)-7-[7-(4-Biphenylylmethyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-6-heptenoate

  • Molecular FormulaC33H32FN2O4
  • Average mass539.617 Da
  • Monoisotopic mass539.235168 Da
  • ChemSpider ID21227503

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(6E)-7-[7-(4-Biphenylylmethyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-6-heptenoate [ACD/IUPAC Name]
(6E)-7-[7-(4-Biphénylylméthyl)-2-(4-fluorophényl)-4,5,6,7-tétrahydro-2H-indazol-3-yl]-3,5-dihydroxy-6-hepténoate [French] [ACD/IUPAC Name]
(6E)-7-[7-(4-Biphenylylmethyl)-2-(4-fluorphenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-6-heptenoat [German] [ACD/IUPAC Name]
6-Heptenoic acid, 7-[7-([1,1'-biphenyl]-4-ylmethyl)-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxy-, ion(1-), (6E)- [ACD/Index Name]

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

Density:
Boiling Point: 798.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 164.79
ACD/KOC (pH 5.5): 555.14
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 9.50
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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