ChemSpider 2D Image | 1-[(3R,4R)-3-(Hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone | C16H26N4O2S2

1-[(3R,4R)-3-(Hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

  • Molecular FormulaC16H26N4O2S2
  • Average mass370.533 Da
  • Monoisotopic mass370.149719 Da
  • ChemSpider ID29675439

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4R)-3-(Hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanon [German] [ACD/IUPAC Name]
1-[(3R,4R)-3-(Hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone [ACD/IUPAC Name]
1-[(3R,4R)-3-(Hydroxyméthyl)-4-(1-pipéridinylméthyl)-1-pyrrolidinyl]-2-[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R,4R)-3-(hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]- [ACD/Index Name]
[(3R*,4R*)-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.9±29.6 °C
Index of Refraction: 1.623
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 279.5±5.0 cm3

Click to predict properties on the Chemicalize site


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