Found 222 results

Search term: MF = 'C_{18}H_{29}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | [5-(Ethylsulfanyl)-2-thienyl]{(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone | C18H29N3O2S2

[5-(Ethylsulfanyl)-2-thienyl]{(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone

  • Molecular FormulaC18H29N3O2S2
  • Average mass383.572 Da
  • Monoisotopic mass383.170105 Da
  • ChemSpider ID29491393

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[5-(Ethylsulfanyl)-2-thienyl]{(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanon [German] [ACD/IUPAC Name]
[5-(Ethylsulfanyl)-2-thienyl]{(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone [ACD/IUPAC Name]
[5-(Éthylsulfanyl)-2-thiényl]{(3R,4R)-3-(hydroxyméthyl)-4-[(4-méthyl-1-pipérazinyl)méthyl]-1-pyrrolidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(ethylthio)-2-thienyl][(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1-piperazinyl)methyl]-1-pyrrolidinyl]- [ACD/Index Name]
{(3R*,4R*)-1-{[5-(ethylthio)-2-thienyl]carbonyl}-4-[(4-methylpiperazin-1-yl)methyl]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: 559.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.2±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.77
Polar Surface Area: 101 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

Click to predict properties on the Chemicalize site


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