ChemSpider 2D Image | LY-2940094 | C22H23ClF2N4O2S

LY-2940094

  • Molecular FormulaC22H23ClF2N4O2S
  • Average mass480.958 Da
  • Monoisotopic mass480.119843 Da
  • ChemSpider ID34248711

More details:






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

(2-{4-[(2'-Chloro-4',4'-difluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)methyl]-3-methyl-1H-pyrazol-1-yl}-3-pyridinyl)methanol [ACD/IUPAC Name]
1307245-86-8 [RN]
3-Pyridinemethanol, 2-[4-[(2'-chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-yl)methyl]-3-methyl-1H-pyrazol-1-yl]- [ACD/Index Name]
4I67US2V8Q
LY-2940094 [Wiki]
{2-[4-({2'-chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl}methyl)-3-methyl-1H-pyrazol-1-yl]pyridin-3-yl}methanol
compound 36 [PMID: 24678969]
LY2940094

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 22.43
ACD/KOC (pH 5.5): 115.89
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 562.65
ACD/KOC (pH 7.4): 2906.37
Polar Surface Area: 92 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 318.1±7.0 cm3

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