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Search term: HDDKTNCZLILPNB-GOSISDBHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6~{r})-5-(5-Fluoranyl-2-Methoxy-Pyrimidin-4-Yl)-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazole | C20H22FN5O3S

(6~{r})-5-(5-Fluoranyl-2-Methoxy-Pyrimidin-4-Yl)-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazole

  • Molecular FormulaC20H22FN5O3S
  • Average mass431.484 Da
  • Monoisotopic mass431.142731 Da
  • ChemSpider ID59053127

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6~{r})-5-(5-Fluoranyl-2-Methoxy-Pyrimidin-4-Yl)-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazole
(6R)-5-(5-Fluor-2-methoxy-4-pyrimidinyl)-6-isopropyl-2-[3-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol [German] [ACD/IUPAC Name]
(6R)-5-(5-Fluoro-2-methoxy-4-pyrimidinyl)-6-isopropyl-2-[3-(methylsulfonyl)phenyl]-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole [ACD/IUPAC Name]
(6R)-5-(5-Fluoro-2-méthoxy-4-pyrimidinyl)-6-isopropyl-2-[3-(méthylsulfonyl)phényl]-2,4,5,6-tétrahydropyrrolo[3,4-c]pyrazole [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole, 5-(5-fluoro-2-methoxy-4-pyrimidinyl)-2,4,5,6-tetrahydro-6-(1-methylethyl)-2-[3-(methylsulfonyl)phenyl]-, (6R)- [ACD/Index Name]
6Y8

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.72
ACD/KOC (pH 5.5): 563.29
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.84
ACD/KOC (pH 7.4): 587.39
Polar Surface Area: 99 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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