ChemSpider 2D Image | Ethyl 3-acetyl-5-{[4-(4-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl}-3-methyl-1H-pyrazol-1-yl)-2-pyrimidinyl]amino}-1H-indole-1-carboxylate | C25H27N7O5

Ethyl 3-acetyl-5-{[4-(4-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl}-3-methyl-1H-pyrazol-1-yl)-2-pyrimidinyl]amino}-1H-indole-1-carboxylate

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID76820440

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-1-carboxylic acid, 3-acetyl-5-[[4-[4-[[(4S)-4-hydroxy-2-isoxazolidinyl]methyl]-3-methyl-1H-pyrazol-1-yl]-2-pyrimidinyl]amino]-, ethyl ester [ACD/Index Name]
3-Acétyl-5-{[4-(4-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]méthyl}-3-méthyl-1H-pyrazol-1-yl)-2-pyrimidinyl]amino}-1H-indole-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-acetyl-5-{[4-(4-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl}-3-methyl-1H-pyrazol-1-yl)-2-pyrimidinyl]amino}-1H-indole-1-carboxylate [ACD/IUPAC Name]
Ethyl-3-acetyl-5-{[4-(4-{[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl}-3-methyl-1H-pyrazol-1-yl)-2-pyrimidinyl]amino}-1H-indol-1-carboxylat [German] [ACD/IUPAC 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: 753.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.5±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 112.99
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.18
ACD/KOC (pH 7.4): 113.00
Polar Surface Area: 137 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 345.3±7.0 cm3

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