ChemSpider 2D Image | (1S,2R,4R)-N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide | C19H24N2OS

(1S,2R,4R)-N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

  • Molecular FormulaC19H24N2OS
  • Average mass328.472 Da
  • Monoisotopic mass328.160919 Da
  • ChemSpider ID62493253

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4R)-N-(3-Cyan-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)bicyclo[2.2.1]heptan-2-carboxamid [German] [ACD/IUPAC Name]
(1S,2R,4R)-N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)bicyclo[2.2.1]heptane-2-carboxamide [ACD/IUPAC Name]
(1S,2R,4R)-N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophén-2-yl)bicyclo[2.2.1]heptane-2-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2-carboxamide, N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-, (1S,2R,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2784.44
ACD/KOC (pH 5.5): 10170.41
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2784.43
ACD/KOC (pH 7.4): 10170.40
Polar Surface Area: 81 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 268.1±5.0 cm3

Click to predict properties on the Chemicalize site


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