ChemSpider 2D Image | {1-[(3S)-1-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-3-piperidinyl]-5,5-dioxido-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl}(4-morpholinyl)methanone | C26H37N5O5S

{1-[(3S)-1-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-3-piperidinyl]-5,5-dioxido-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl}(4-morpholinyl)methanone

  • Molecular FormulaC26H37N5O5S
  • Average mass531.667 Da
  • Monoisotopic mass531.251526 Da
  • ChemSpider ID58887886

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{1-[(3S)-1-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-3-piperidinyl]-5,5-dioxido-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
{1-[(3S)-1-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-3-piperidinyl]-5,5-dioxido-1,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{1-[(3S)-1-{2-[(2-Méthoxyéthyl)(méthyl)amino]éthyl}-3-pipéridinyl]-5,5-dioxydo-1,4-dihydrothiochroméno[4,3-c]pyrazol-3-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1,4-dihydro-1-[(3S)-1-[2-[(2-methoxyethyl)methylamino]ethyl]-3-piperidinyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl- [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: 770.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 419.7±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

Click to predict properties on the Chemicalize site


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