ChemSpider 2D Image | benzyl 2-methanesulfonyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate | C16H17N3O4S

benzyl 2-methanesulfonyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC16H17N3O4S
  • Average mass347.389 Da
  • Monoisotopic mass347.093964 Da
  • ChemSpider ID28294246

More details:

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

1255574-50-5 [RN]
2-(Méthylsulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
benzyl 2-methanesulfonyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
Benzyl-2-(methylsulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
[1255574-50-5] [RN]
3-(Dimethylamino)propanal [ACD/IUPAC Name]
Benzyl 2-(methanesulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Benzyl 2-(methylsulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate [ACD/IUPAC Name]
benzyl 2-methanesulfonyl-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
benzyl-2-(methylsulfonyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 579.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.7±3.0 kJ/mol
    Flash Point: 304.4±32.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 87.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.43
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.05
    ACD/KOC (pH 5.5): 218.91
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.05
    ACD/KOC (pH 7.4): 218.91
    Polar Surface Area: 98 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 253.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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