ChemSpider 2D Image | LuAE51090 | C24H29N3O3

LuAE51090

  • Molecular FormulaC24H29N3O3
  • Average mass407.505 Da
  • Monoisotopic mass407.220886 Da
  • ChemSpider ID26351377

More details:

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

Benzeneacetamide, N-[1-[3-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)propyl]-4-piperidinyl]- [ACD/Index Name]
LuAE51090
N-{1-[3-(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]-4-piperidinyl}-2-phenylacetamid [German] [ACD/IUPAC Name]
N-{1-[3-(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]-4-piperidinyl}-2-phenylacetamide [ACD/IUPAC Name]
N-{1-[3-(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propyl]-4-pipéridinyl}-2-phénylacétamide [French] [ACD/IUPAC Name]
1186229-95-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242923/
Lu AE51090
N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]-piperidin-4-yl}-2-phenylacetamide
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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: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.1±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 79.00
Polar Surface Area: 62 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 328.6±5.0 cm3

Click to predict properties on the Chemicalize site


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