Found 1 result

Search term: N1C(=NC=C1)* (Found by matching substring to any synonym - approximate match!)
ChemSpider 2D Image | (7S)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-6(5H)-pteridinone | C22H21FN8O

(7S)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-6(5H)-pteridinone

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID60599802

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-Ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-6(5H)-pteridinone [ACD/IUPAC Name]
(7S)-7-Éthyl-2-[2-(4-fluorophényl)-1H-imidazol-1-yl]-5-méthyl-8-(1-méthyl-1H-pyrazol-3-yl)-7,8-dihydro-6(5H)-ptéridinone [French] [ACD/IUPAC Name]
(7S)-7-Ethyl-2-[2-(4-fluorphenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-6(5H)-pteridinon [German] [ACD/IUPAC Name]
6(5H)-Pteridinone, 7-ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-7,8-dihydro-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-, (7S)- [ACD/Index Name]
(7S)-7-ethyl-2-[2-(4-fluorophenyl)-1H-imidazol-1-yl]-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropteridin-6-one
(s)-7-ethyl-2-(2-(4-fluorophenyl)-1h-imidazol-1-yl)-5-methyl-8-(1-methyl-1h-pyrazol-3-yl)-7,8-dihydropteridin-6(5h)-one
(S)-7-ethyl-2-(2-(4-fluorophenyl)-1H-imidazol-1-yl)-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydropteridin-6(5H)-one(WXC04823)
1313519-84-4 [RN]
N1(c2nc(ncc2N(C(=O)[C@@H]1CC)C)N1C(=NC=C1)c1ccc(cc1)F)C1=NN(C)C=C1

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 745.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.7±3.0 kJ/mol
    Flash Point: 404.7±35.7 °C
    Index of Refraction: 1.716
    Molar Refractivity: 119.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 16.84
    ACD/KOC (pH 5.5): 262.50
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 16.88
    ACD/KOC (pH 7.4): 263.16
    Polar Surface Area: 85 Å2
    Polarizability: 47.3±0.5 10-24cm3
    Surface Tension: 55.6±7.0 dyne/cm
    Molar Volume: 303.4±7.0 cm3

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