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Search term: 28495222 (Found by CSID)
ChemSpider 2D Image | ML 210 | C22H20Cl2N4O4

ML 210

  • Molecular FormulaC22H20Cl2N4O4
  • Average mass475.325 Da
  • Monoisotopic mass474.086151 Da
  • ChemSpider ID28495222

More details:

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

[4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
{4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl}(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone [ACD/IUPAC Name]
{4-[Bis(4-chlorophényl)méthyl]-1-pipérazinyl}(5-méthyl-4-nitro-1,2-oxazol-3-yl)méthanone [French] [ACD/IUPAC Name]
{4-[Bis(4-chlorphenyl)methyl]-1-piperazinyl}(5-methyl-4-nitro-1,2-oxazol-3-yl)methanon [German] [ACD/IUPAC Name]
1-[bis(4-chlorophenyl)methyl]-4-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazine
1360705-96-9 [RN]
22334306 [Beilstein]
CID 49766530
Methanone, [4-[bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An N-acylpiperazine that is piperazine substituted by 5-methyl-4-nitro-1,2-oxazole-3-carbonyl and bis(4-chlorophenyl)methyl groups at positions 1 and 4, respectively. It is a glutathione peroxidase 4 (GPX4) inhibitor which induces ferroptosis in cancer cells expressing the RAS oncogene. ChEBI CHEBI:176502

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 511.83
ACD/KOC (pH 5.5): 2903.45
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 590.47
ACD/KOC (pH 7.4): 3349.53
Polar Surface Area: 95 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 335.8±3.0 cm3

Click to predict properties on the Chemicalize site


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