ChemSpider 2D Image | N-[(2R,3R)-2-Methoxy-1'-(5-quinoxalinylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide | C31H32N4O2

N-[(2R,3R)-2-Methoxy-1'-(5-quinoxalinylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide

  • Molecular FormulaC31H32N4O2
  • Average mass492.611 Da
  • Monoisotopic mass492.252533 Da
  • ChemSpider ID22863995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzeneacetamide, N-[(2R,3R)-2,3-dihydro-2-methoxy-1'-(5-quinoxalinylmethyl)spiro[1H-indene-1,4'-piperidin]-3-yl]- [ACD/Index Name]
N-[(2R,3R)-1'-(5-Chinoxalinylmethyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamid [German] [ACD/IUPAC Name]
N-[(2R,3R)-2-Methoxy-1'-(5-quinoxalinylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide [ACD/IUPAC Name]
N-[(2R,3R)-2-Méthoxy-1'-(5-quinoxalinylméthyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phénylacétamide [French] [ACD/IUPAC Name]
N-[(2R*,3R*)-2-methoxy-1'-(5-quinoxalinylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.63
ACD/KOC (pH 5.5): 50.89
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 454.22
ACD/KOC (pH 7.4): 2173.79
Polar Surface Area: 67 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

Click to predict properties on the Chemicalize site


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