ChemSpider 2D Image | (4R)-3-[2-({1-[5-(2,3-Dichlorophenyl)-2-pyrimidinyl]ethyl}amino)-4-pyrimidinyl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one | C21H20Cl2N6O3

(4R)-3-[2-({1-[5-(2,3-Dichlorophenyl)-2-pyrimidinyl]ethyl}amino)-4-pyrimidinyl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC21H20Cl2N6O3
  • Average mass475.328 Da
  • Monoisotopic mass474.097382 Da
  • ChemSpider ID76800540

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-3-[2-({1-[5-(2,3-Dichlorophenyl)-2-pyrimidinyl]ethyl}amino)-4-pyrimidinyl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R)-3-[2-({1-[5-(2,3-Dichlorophényl)-2-pyrimidinyl]éthyl}amino)-4-pyrimidinyl]-4-[(1R)-1-hydroxyéthyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
(4R)-3-[2-({1-[5-(2,3-Dichlorphenyl)-2-pyrimidinyl]ethyl}amino)-4-pyrimidinyl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
2-Oxazolidinone, 3-[2-[[1-[5-(2,3-dichlorophenyl)-2-pyrimidinyl]ethyl]amino]-4-pyrimidinyl]-4-[(1R)-1-hydroxyethyl]-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.92
ACD/KOC (pH 5.5): 1492.45
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.53
ACD/KOC (pH 7.4): 1535.85
Polar Surface Area: 113 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 324.1±3.0 cm3

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