ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(4-fluorobenzyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carboxylate | C19H22FN3O3

2-Methyl-2-propanyl 3-(4-fluorobenzyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carboxylate

  • Molecular FormulaC19H22FN3O3
  • Average mass359.395 Da
  • Monoisotopic mass359.164520 Da
  • ChemSpider ID34982898

More details:

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

2-Methyl-2-propanyl 3-(4-fluorobenzyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-fluorbenzyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-carboxylat [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-4-oxo-3,5,7,8-tétrahydropyrido[4,3-d]pyrimidine-6(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidine-6(4H)-carboxylic acid, 3-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
1781241-50-6 [RN]
DL-0033
MFCD28805993
tert-butyl 3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
tert-butyl 3-[(4-fluorophenyl)methyl]-4-oxo-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.0±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.83
ACD/KOC (pH 5.5): 877.60
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.83
ACD/KOC (pH 7.4): 877.61
Polar Surface Area: 62 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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