ChemSpider 2D Image | Methyl 3-(4-{[(1R,2s,3S,5s,7s)-5-aminoadamantan-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate | C34H34N4O4

Methyl 3-(4-{[(1R,2s,3S,5s,7s)-5-aminoadamantan-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID28664492

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,8-Naphthyridine-2-carboxylic acid, 3-[[4-[[[(1R,3S)-5-aminotricyclo[3.3.1.13,7]dec-2-yl]amino]carbonyl]phenyl]methyl]-1,4-dihydro-4-oxo-1-phenyl-, methyl ester [ACD/Index Name]
3-(4-{[(1R,2s,3S,5s,7s)-5-Aminoadamantan-2-yl]carbamoyl}benzyl)-4-oxo-1-phényl-1,4-dihydro-1,8-naphtyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-{[(1R,2s,3S,5s,7s)-5-aminoadamantan-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate [ACD/IUPAC Name]
Methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-Aminotricyclo[3.3.1.13,7]dec-2-Yl]carbamoyl}benzyl)-4-Oxo-1-Phenyl-1,4-Dihydro-1,8-Naphthyridine-2-Carboxylate
Methyl-3-(4-{[(1R,2s,3S,5s,7s)-5-aminoadamantan-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridin-2-carboxylat [German] [ACD/IUPAC Name]
0NR

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.83
Polar Surface Area: 115 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

Click to predict properties on the Chemicalize site


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