ChemSpider 2D Image | Gemigliptin | C18H19F8N5O2

Gemigliptin

  • Molecular FormulaC18H19F8N5O2
  • Average mass489.363 Da
  • Monoisotopic mass489.141113 Da
  • ChemSpider ID48054670

More details:






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

1-{2-Amino-4-[2,4-bis(trifluormethyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-4-oxobutyl}-5,5-difluor-2-piperidinon [German] [ACD/IUPAC Name]
1-{2-Amino-4-[2,4-bis(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-4-oxobutyl}-5,5-difluoro-2-piperidinone [ACD/IUPAC Name]
1-{2-Amino-4-[2,4-bis(trifluorométhyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-4-oxobutyl}-5,5-difluoro-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[2-amino-4-[5,8-dihydro-2,4-bis(trifluoromethyl)pyrido[3,4-d]pyrimidin-7(6H)-yl]-4-oxobutyl]-5,5-difluoro- [ACD/Index Name]
Gemigliptin
1-{2-amino-4-[2,4-bis(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-4-oxobutyl}-5,5-difluoropiperidin-2-one
5DHU18M5D6
911637-19-9 [RN]
MFCD19443742

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 54.37
Polar Surface Area: 92 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 317.6±5.0 cm3

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