ChemSpider 2D Image | GSK481 | C21H19N3O4

GSK481

  • Molecular FormulaC21H19N3O4
  • Average mass377.393 Da
  • Monoisotopic mass377.137543 Da
  • ChemSpider ID57583309

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1622849-58-4 [RN]
3-Isoxazolecarboxamide, 5-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]- [ACD/Index Name]
5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-Benzyl-N-[(3S)-5-méthyl-4-oxo-2,3,4,5-tétrahydro-1,5-benzoxazépin-3-yl]-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
GSK481
(S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)isoxazole-3-carboxamide
65U
GSK' 481
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.18
ACD/KOC (pH 5.5): 379.72
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.18
ACD/KOC (pH 7.4): 379.72
Polar Surface Area: 85 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 277.8±5.0 cm3

Click to predict properties on the Chemicalize site


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