ChemSpider 2D Image | (6-{[3-Fluoro-4-(1,3-oxazol-2-yl)phenyl]sulfonyl}-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)[3-(4-methyl-1-piperazinyl)phenyl]methanol | C28H29FN6O4S

(6-{[3-Fluoro-4-(1,3-oxazol-2-yl)phenyl]sulfonyl}-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)[3-(4-methyl-1-piperazinyl)phenyl]methanol

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID129216732

More details:

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

(6-{[3-Fluor-4-(1,3-oxazol-2-yl)phenyl]sulfonyl}-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)[3-(4-methyl-1-piperazinyl)phenyl]methanol [German] [ACD/IUPAC Name]
(6-{[3-Fluoro-4-(1,3-oxazol-2-yl)phenyl]sulfonyl}-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)[3-(4-methyl-1-piperazinyl)phenyl]methanol [ACD/IUPAC Name]
(6-{[3-Fluoro-4-(1,3-oxazol-2-yl)phényl]sulfonyl}-4-méthyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)[3-(4-méthyl-1-pipérazinyl)phényl]méthanol [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,4-d]pyrimidine-2-methanol, 6-[[3-fluoro-4-(2-oxazolyl)phenyl]sulfonyl]-6,7-dihydro-4-methyl-α-[3-(4-methyl-1-piperazinyl)phenyl]- [ACD/Index 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: 760.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 231.06
Polar Surface Area: 124 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 406.1±3.0 cm3

Click to predict properties on the Chemicalize site


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