ChemSpider 2D Image | GSK-1440115 | C30H29Cl2N3O6

GSK-1440115

  • Molecular FormulaC30H29Cl2N3O6
  • Average mass598.474 Da
  • Monoisotopic mass597.143311 Da
  • ChemSpider ID32699669
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[1,1'-Biphenyl]-4-carboxylic acid, 4'-[(1R)-1-[[2-(6,7-dichloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)acetyl]methylamino]-2-(4-morpholinyl)ethyl]- [ACD/Index Name]
1003878-16-7 [RN]
4'-[(1R)-1-{[(6,7-Dichlor-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(4-morpholinyl)ethyl]-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(1R)-1-{[(6,7-Dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-[(1R)-1-{[2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétyl](méthyl)amino}-2-(4-morpholinyl)éthyl]-4-biphénylcarboxylique [French] [ACD/IUPAC Name]
GSK-1440115
GSK 1440115

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

GCT6G5G3C7 [DBID]
UNII:GCT6G5G3C7 [DBID]
UNII-GCT6G5G3C7 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 858.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 46.40
ACD/KOC (pH 5.5): 155.55
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 5.12
ACD/KOC (pH 7.4): 17.17
Polar Surface Area: 100 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 434.1±3.0 cm3

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