ChemSpider 2D Image | (6S,9E)-6-Methyl-4-oxo-9-(phenylhydrazono)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid | C16H16N4O3

(6S,9E)-6-Methyl-4-oxo-9-(phenylhydrazono)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

  • Molecular FormulaC16H16N4O3
  • Average mass312.323 Da
  • Monoisotopic mass312.122253 Da
  • ChemSpider ID58122319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S,9E)-6-Methyl-4-oxo-9-(phenylhydrazono)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-carbonsäure [German] [ACD/IUPAC Name]
(6S,9E)-6-Methyl-4-oxo-9-(phenylhydrazono)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-9-(2-phenylhydrazinylidene)-, (6S,9E)- [ACD/Index Name]
Acide (6S,9E)-6-méthyl-4-oxo-9-(phénylhydrazono)-6,7,8,9-tétrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349037/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 246.8±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

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