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Search term: MKYIUBKLNMCEKG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(2-Chloro-4-fluorobenzyl)-3-[3-methyl-4-(4-morpholinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide | C20H21ClFN5O3

N-(2-Chloro-4-fluorobenzyl)-3-[3-methyl-4-(4-morpholinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide

  • Molecular FormulaC20H21ClFN5O3
  • Average mass433.864 Da
  • Monoisotopic mass433.131683 Da
  • ChemSpider ID29208958

More details:

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

Isoxazolo[5,4-d]pyrimidine-6-propanamide, N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(4-morpholinyl)- [ACD/Index Name]
N-(2-Chlor-4-fluorbenzyl)-3-[3-methyl-4-(4-morpholinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamid [German] [ACD/IUPAC Name]
N-(2-Chloro-4-fluorobenzyl)-3-[3-methyl-4-(4-morpholinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide [ACD/IUPAC Name]
N-(2-Chloro-4-fluorobenzyl)-3-[3-méthyl-4-(4-morpholinyl)[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide [French] [ACD/IUPAC Name]
N-(2-chloro-4-fluorobenzyl)-3-(3-methyl-4-morpholinoisoxazolo[5,4-d]pyrimidin-6-yl)propanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.80
ACD/KOC (pH 5.5): 335.57
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.04
ACD/KOC (pH 7.4): 338.87
Polar Surface Area: 93 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 314.2±3.0 cm3

Click to predict properties on the Chemicalize site


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