ChemSpider 2D Image | Ethyl 4-[(3,4-difluorophenyl)amino]-3-methyl[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate | C15H12F2N4O3

Ethyl 4-[(3,4-difluorophenyl)amino]-3-methyl[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC15H12F2N4O3
  • Average mass334.278 Da
  • Monoisotopic mass334.087738 Da
  • ChemSpider ID29072268

More details:

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

4-[(3,4-Difluorophényl)amino]-3-méthyl[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(3,4-difluorophenyl)amino]-3-methyl[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(3,4-difluorphenyl)amino]-3-methyl[1,2]oxazolo[5,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Isoxazolo[5,4-d]pyrimidine-6-carboxylic acid, 4-[(3,4-difluorophenyl)amino]-3-methyl-, ethyl ester [ACD/Index Name]
ethyl 4-[(3,4-difluorophenyl)amino]-3-methylisoxazolo[5,4-d]pyrimidine-6-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.17
ACD/KOC (pH 5.5): 489.38
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.18
ACD/KOC (pH 7.4): 489.53
Polar Surface Area: 90 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 231.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement