Found 1 result

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

ChemSpider 2D Image | Seco-Duocarmycin TM | C12H17N3O3

Seco-Duocarmycin TM

  • Molecular FormulaC12H17N3O3
  • Average mass251.282 Da
  • Monoisotopic mass251.126984 Da
  • ChemSpider ID23501055

More details:

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

1142188-60-0 [RN]
2-Methyl-2-propanyl 4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(1H)-carboxylat [German] [ACD/IUPAC Name]
4-Oxo-4,5,6,8-tétrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(3H)-carboxylic acid, 4,5,6,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
Seco-Duocarmycin TM
tert-Butyl 4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
4-Oxo-4,5,6,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.599
    Molar Refractivity: 65.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.41
    ACD/LogD (pH 5.5): 0.94
    ACD/BCF (pH 5.5): 3.04
    ACD/KOC (pH 5.5): 77.06
    ACD/LogD (pH 7.4): 0.94
    ACD/BCF (pH 7.4): 3.03
    ACD/KOC (pH 7.4): 76.97
    Polar Surface Area: 71 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 46.9±7.0 dyne/cm
    Molar Volume: 192.8±7.0 cm3

    Click to predict properties on the Chemicalize site