ChemSpider 2D Image | 7-(Adamantan-1-yl)-1-(3-methoxypropyl)-2-thioxo-5-(trifluoromethyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one | C22H26F3N3O2S

7-(Adamantan-1-yl)-1-(3-methoxypropyl)-2-thioxo-5-(trifluoromethyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID21759358

More details:

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

7-(Adamantan-1-yl)-1-(3-methoxypropyl)-2-thioxo-5-(trifluormethyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
7-(Adamantan-1-yl)-1-(3-methoxypropyl)-2-thioxo-5-(trifluoromethyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
7-(Adamantan-1-yl)-1-(3-méthoxypropyl)-2-thioxo-5-(trifluorométhyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-(3-methoxypropyl)-2-thioxo-7-tricyclo[3.3.1.13,7]dec-1-yl-5-(trifluoromethyl)- [ACD/Index Name]
1-(3-methoxypropyl)-2-sulfanyl-7-(tricyclo[3.3.1.13,7]dec-1-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(1-adamantyl)-2-mercapto-1-(3-methoxypropyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-Adamantan-1-yl-2-mercapto-1-(3-methoxy-propyl)-5-trifluoromethyl-1H-pyrido[2,3-d]pyrimidin-4-one
7-adamantanyl-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)hydropyridino[2,3-d]pyrimidin-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.20
Polar Surface Area: 94 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 295.1±7.0 cm3

Click to predict properties on the Chemicalize site


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