Found 1 result

Search term: QTAONPFQLNZKSD-XJABCFGWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-3-{trans-4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one | C26H29N5O2

(4S)-3-{trans-4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

  • Molecular FormulaC26H29N5O2
  • Average mass443.541 Da
  • Monoisotopic mass443.232117 Da
  • ChemSpider ID31126368

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-3-{trans-4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-3-{trans-4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-3-{trans-4-[6-Amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl}-5,5-diméthyl-4-phényl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
(4s)-3-{trans-4-[6-Amino-5-(Pyrimidin-2-Yl)pyridin-3-Yl]cyclohexyl}-5,5-Dimethyl-4-Phenyl-1,3-Oxazolidin-2-One
2-Oxazolidinone, 3-[trans-4-[6-amino-5-(2-pyrimidinyl)-3-pyridinyl]cyclohexyl]-5,5-dimethyl-4-phenyl-, (4S)- [ACD/Index Name]
2GY

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1038.16
ACD/KOC (pH 5.5): 4587.98
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1417.53
ACD/KOC (pH 7.4): 6264.53
Polar Surface Area: 94 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 361.4±3.0 cm3

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