ChemSpider 2D Image | 2-[3-(3-Methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)acetamide | C20H19N7O4S

2-[3-(3-Methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)acetamide

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID22499447

More details:

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

2-[3-(3-Methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[3-(3-Methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)acetamide [ACD/IUPAC Name]
2-[3-(3-Méthylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphényl)acétamide [French] [ACD/IUPAC Name]
6H-1,2,3-Triazolo[4,5-d]pyrimidine-6-acetamide, N-[4-(aminosulfonyl)phenyl]-3,7-dihydro-3-[(3-methylphenyl)methyl]-7-oxo- [ACD/Index Name]
1082767-72-3 [RN]
2-[3-[(3-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(4-sulfamoylphenyl)acetamide
AO-476/43407143
MCULE-7770021649
MolPort-009-015-858
N-[4-(aminosulfonyl)phenyl]-2-[3-(3-methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.743
    Molar Refractivity: 117.8±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): 0.75
    ACD/BCF (pH 5.5): 2.20
    ACD/KOC (pH 5.5): 61.22
    ACD/LogD (pH 7.4): 0.75
    ACD/BCF (pH 7.4): 2.19
    ACD/KOC (pH 7.4): 61.06
    Polar Surface Area: 161 Å2
    Polarizability: 46.7±0.5 10-24cm3
    Surface Tension: 71.3±7.0 dyne/cm
    Molar Volume: 291.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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