ChemSpider 2D Image | [(2R)-1-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-2-pyrrolidinyl]methanol | C22H27ClN4O2S

[(2R)-1-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-2-pyrrolidinyl]methanol

  • Molecular FormulaC22H27ClN4O2S
  • Average mass446.993 Da
  • Monoisotopic mass446.154327 Da
  • ChemSpider ID26385631

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-1-({3-[7-Chlor-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
[(2R)-1-({3-[7-Chloro-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}methyl)-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(2R)-1-({3-[7-Chloro-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl}méthyl)-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 1-[[3-[7-chloro-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-1,2,4-thiadiazol-5-yl]methyl]-, (2R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 652.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 14.89
ACD/KOC (pH 5.5): 86.56
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 372.23
ACD/KOC (pH 7.4): 2163.39
Polar Surface Area: 92 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 302.5±7.0 cm3

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