ChemSpider 2D Image | elacestrant | C30H38N2O2

elacestrant

  • Molecular FormulaC30H38N2O2
  • Average mass458.635 Da
  • Monoisotopic mass458.293335 Da
  • ChemSpider ID57583807

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-[2-(Éthyl{4-[2-(éthylamino)éthyl]benzyl}amino)-4-méthoxyphényl]-5,6,7,8-tétrahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(6R)-6-[2-(Ethyl{4-[2-(ethylamino)ethyl]benzyl}amino)-4-methoxyphenyl]-5,6,7,8-tetrahydro-2-naphthalenol [ACD/IUPAC Name]
(6R)-6-[2-(Ethyl{4-[2-(ethylamino)ethyl]benzyl}amino)-4-methoxyphenyl]-5,6,7,8-tetrahydro-2-naphthalinol [German] [ACD/IUPAC Name]
2-Naphthalenol, 6-[2-[ethyl[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydro-, (6R)- [ACD/Index Name]
722533-56-4 [RN]
elacestrant [INN]
elacestrant [Spanish] [INN]
élacestrant [French] [INN]
elacestrantum [Latin] [INN]
FM6A2627A8
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10247 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 322.4±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 38.19
ACD/KOC (pH 5.5): 57.69
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 127.62
ACD/KOC (pH 7.4): 192.76
Polar Surface Area: 45 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

Click to predict properties on the Chemicalize site


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