ChemSpider 2D Image | Cabotegravir | C19H17F2N3O5

Cabotegravir

  • Molecular FormulaC19H17F2N3O5
  • Average mass405.352 Da
  • Monoisotopic mass405.113617 Da
  • ChemSpider ID30829503

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,11aR)-N-(2,4-Difluorbenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazin-8-carboxamid [German] [ACD/IUPAC Name]
(3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide [ACD/IUPAC Name]
(3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-méthyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide [French] [ACD/IUPAC Name]
1051375-10-0 [RN]
cabotegravir [Spanish] [INN]
Cabotegravir [INN] [USAN] [Wiki]
cabotégravir [French] [INN]
cabotegravirum [Latin] [INN]
GSK1265744A
HMH0132Z1Q
More...

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

9903 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 664.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.4±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 257.6±5.0 cm3

Click to predict properties on the Chemicalize site


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