Found 222 results

Search term: MF = 'C_{18}H_{29}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | (4aR,7aS)-1-Ethyl-4-{[4-(1-pyrrolidinylmethyl)-2-thienyl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide | C18H29N3O2S2

(4aR,7aS)-1-Ethyl-4-{[4-(1-pyrrolidinylmethyl)-2-thienyl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide

  • Molecular FormulaC18H29N3O2S2
  • Average mass383.572 Da
  • Monoisotopic mass383.170105 Da
  • ChemSpider ID29715839

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-1-Ethyl-4-{[4-(1-pyrrolidinylmethyl)-2-thienyl]methyl}octahydrothieno[3,4-b]pyrazin-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-1-Ethyl-4-{[4-(1-pyrrolidinylmethyl)-2-thienyl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide [ACD/IUPAC Name]
6,6-Dioxyde de (4aR,7aS)-1-éthyl-4-{[4-(1-pyrrolidinylméthyl)-2-thiényl]méthyl}octahydrothiéno[3,4-b]pyrazine [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine, 1-ethyloctahydro-4-[[4-(1-pyrrolidinylmethyl)-2-thienyl]methyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aR*,7aS*)-1-ethyl-4-{[4-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl}octahydrothieno[3,4-b]pyrazine 6,6-dioxide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

Click to predict properties on the Chemicalize site


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