ChemSpider 2D Image | 4-{2-[(3S,4S)-3,4-Dihydroxy-3-({[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}methyl)-1-pyrrolidinyl]ethyl}-6-methoxy-1,5-naphthyridine-3-carbonitrile | C25H27N7O5

4-{2-[(3S,4S)-3,4-Dihydroxy-3-({[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}methyl)-1-pyrrolidinyl]ethyl}-6-methoxy-1,5-naphthyridine-3-carbonitrile

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID9701051

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Naphthyridine-3-carbonitrile, 4-[2-[(3S,4S)-3-[[[(3,4-dihydro-3-oxo-2H-pyrido[3,2-b]-1,4-oxazin-6-yl)methyl]amino]methyl]-3,4-dihydroxy-1-pyrrolidinyl]ethyl]-6-methoxy- [ACD/Index Name]
4-{2-[(3S,4S)-3,4-Dihydroxy-3-({[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}methyl)-1-pyrrolidinyl]ethyl}-6-methoxy-1,5-naphthyridin-3-carbonitril [German] [ACD/IUPAC Name]
4-{2-[(3S,4S)-3,4-Dihydroxy-3-({[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}methyl)-1-pyrrolidinyl]ethyl}-6-methoxy-1,5-naphthyridine-3-carbonitrile [ACD/IUPAC Name]
4-{2-[(3S,4S)-3,4-Dihydroxy-3-({[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)méthyl]amino}méthyl)-1-pyrrolidinyl]éthyl}-6-méthoxy-1,5-naphtyridine-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.36
Polar Surface Area: 166 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 93.9±5.0 dyne/cm
Molar Volume: 337.3±5.0 cm3

Click to predict properties on the Chemicalize site


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