ChemSpider 2D Image | Gepotidacin | C24H28N6O3

Gepotidacin

  • Molecular FormulaC24H28N6O3
  • Average mass448.517 Da
  • Monoisotopic mass448.222290 Da
  • ChemSpider ID34982930
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-({4-[(3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylen-3,8-dion [German] [ACD/IUPAC Name]
(2R)-2-({4-[(3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione [ACD/IUPAC Name]
(2R)-2-({4-[(3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-ylméthyl)amino]-1-pipéridinyl}méthyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacénaphtylène-3,8-dione [French] [ACD/IUPAC Name]
10050
1075236-89-3 [RN]
3H,8H-2a,5,8a-Triazaacenaphthylene-3,8-dione, 2-[[4-[[(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl)methyl]amino]-1-piperidinyl]methyl]-1,2-dihydro-, (2R)- [ACD/Index Name]
DVF0PR037D
gepotidacina [Latin] [INN]
gépotidacine [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GSK2140944 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 90 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 295.0±7.0 cm3

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