ChemSpider 2D Image | ethyl 4-amino-2-[2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate | C11H15N5O4S

ethyl 4-amino-2-[2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate

  • Molecular FormulaC11H15N5O4S
  • Average mass313.333 Da
  • Monoisotopic mass313.084473 Da
  • ChemSpider ID22252375

More details:

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

1019014-10-8 [RN]
AKOS017260013
AO-476/43414179
ethyl 4-amino-2-[(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)sulfanyl]-5-pyrimidinecarboxylate
ethyl 4-amino-2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
ethyl 6-imino-2-((2-(3-methylureido)-2-oxoethyl)thio)-1,6-dihydropyrimidine-5-carboxylate
MCULE-6595474080
MolPort-009-015-076
QDJADPZHRWXVPN-UHFFFAOYSA-N
ZINC19796951

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.604
    Molar Refractivity: 75.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 7.25
    ACD/KOC (pH 5.5): 143.73
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.20
    ACD/KOC (pH 7.4): 142.71
    Polar Surface Area: 162 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 74.2±5.0 dyne/cm
    Molar Volume: 220.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement