ChemSpider 2D Image | N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide | C28H32N6O5S

N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide

  • Molecular FormulaC28H32N6O5S
  • Average mass564.656 Da
  • Monoisotopic mass564.215515 Da
  • ChemSpider ID26645719

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Diamide N-[(2R)-1,4-dioxan-2-ylméthyl]-N-méthyl-N'-{5-oxo-3-[1-(4-pipéridinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfurique [French] [ACD/IUPAC Name]
N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}schwefeldiamid [German] [ACD/IUPAC Name]
N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide [ACD/IUPAC Name]
N-[(2r)-1,4-Dioxan-2-Ylmethyl]-N-Methyl-N'-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}sulfuric Diamide
Sulfamide, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[5-oxo-3-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]- [ACD/Index Name]
M61

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

Density: 1.5±0.1 g/cm3
Boiling Point: 797.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.8±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 149.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 381.6±7.0 cm3

Click to predict properties on the Chemicalize site


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