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Search term: BRMLQSDHYPTXMV-YLJYHZDGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[(3S,4S)-1-Benzyl-4-ethyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C23H29N5O2

6-[(3S,4S)-1-Benzyl-4-ethyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC23H29N5O2
  • Average mass407.509 Da
  • Monoisotopic mass407.232117 Da
  • ChemSpider ID28661479

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-[(3S,4S)-4-ethyl-1-(phenylmethyl)-3-pyrrolidinyl]-1,5-dihydro-1-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
6-[(3S,4S)-1-Benzyl-4-ethyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-[(3S,4S)-1-Benzyl-4-ethyl-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-[(3S,4S)-1-Benzyl-4-éthyl-3-pyrrolidinyl]-1-(tétrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.696
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.87
Polar Surface Area: 72 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


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