ChemSpider 2D Image | (+/-)-lanabecestat | C26H28N4O

(±)-lanabecestat

  • Molecular FormulaC26H28N4O
  • Average mass412.527 Da
  • Monoisotopic mass412.226318 Da
  • ChemSpider ID34980767

More details:

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

(±)-lanabecestat
1383982-64-6 [RN]
4-Methoxy-5''-methyl-6'-[5-(1-propin-1-yl)-3-pyridinyl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amin [German] [ACD/IUPAC Name]
4-Methoxy-5''-methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine [ACD/IUPAC Name]
4-Méthoxy-5''-méthyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine [French] [ACD/IUPAC Name]
4-methoxy-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
Dispiro[cyclohexane-1,2'-[1H]indene-1'(3'H),2''-[2H]imidazol]-4''-amine, 4-methoxy-5''-methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]- [ACD/Index Name]
(1α,1'S,4β)-Lanabecestat
1384082-96-5 [RN]
1628076-74-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 621.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.9±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 10.40
ACD/KOC (pH 5.5): 69.28
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 214.38
ACD/KOC (pH 7.4): 1428.60
Polar Surface Area: 73 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 333.8±7.0 cm3

Click to predict properties on the Chemicalize site


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