ChemSpider 2D Image | [(3R,4R)-1-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl]methanol | C15H28N4O2S

[(3R,4R)-1-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl]methanol

  • Molecular FormulaC15H28N4O2S
  • Average mass328.473 Da
  • Monoisotopic mass328.193298 Da
  • ChemSpider ID29463160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4R)-1-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
[(3R,4R)-1-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(3R,4R)-1-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-méthoxyéthyl)(méthyl)amino]méthyl}-3-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 4-[[(2-methoxyethyl)methylamino]methyl]-1-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-, (3R,4R)- [ACD/Index Name]
((3R*,4R*)-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.3±26.8 °C
Index of Refraction: 1.536
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 90 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 289.2±3.0 cm3

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