Found 222 results

Search term: MF = 'C_{18}H_{29}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | (4aR,7aS)-1-Isobutyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide | C18H29N3O2S2

(4aR,7aS)-1-Isobutyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide

  • Molecular FormulaC18H29N3O2S2
  • Average mass383.572 Da
  • Monoisotopic mass383.170105 Da
  • ChemSpider ID29553291

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-1-Isobutyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazin-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-1-Isobutyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide [ACD/IUPAC Name]
6,6-Dioxyde de (4aR,7aS)-1-isobutyl-4-(4,5,6,7-tétrahydro-1,3-benzothiazol-2-ylméthyl)octahydrothiéno[3,4-b]pyrazine [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine, octahydro-1-(2-methylpropyl)-4-[(4,5,6,7-tetrahydro-2-benzothiazolyl)methyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aR*,7aS*)-1-isobutyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 75.68
ACD/KOC (pH 5.5): 690.35
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.60
ACD/KOC (pH 7.4): 1008.82
Polar Surface Area: 90 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 308.2±3.0 cm3

Click to predict properties on the Chemicalize site


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