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Search term: IEISPQPIXMLLKI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 5-hydroxy-8-(3-methylbutyl)-2-(methylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate | C16H21N3O4S

Ethyl 5-hydroxy-8-(3-methylbutyl)-2-(methylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC16H21N3O4S
  • Average mass351.421 Da
  • Monoisotopic mass351.125275 Da
  • ChemSpider ID24609712

More details:






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

5-Hydroxy-8-(3-méthylbutyl)-2-(méthylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-hydroxy-8-(3-methylbutyl)-2-(methylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-5-hydroxy-8-(3-methylbutyl)-2-(methylsulfanyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 7,8-dihydro-5-hydroxy-8-(3-methylbutyl)-2-(methylthio)-7-oxo-, ethyl ester [ACD/Index Name]
[1253790-09-8]
1253790-09-8 [RN]
ethyl 5-hydroxy-8-(3-methylbutyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
Ethyl 5-hydroxy-8-isopentyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
ethyl5-hydroxy-8-isopentyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
ETHYL-5-HYDROXY-8-ISOPENTYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.6±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 103.79
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 118 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 264.2±5.0 cm3

Click to predict properties on the Chemicalize site






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