ChemSpider 2D Image | (4aS,7aR)-N-Cyclopentyl-4-[2-(dimethylamino)-2-oxoethyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide | C16H28N4O4S

(4aS,7aR)-N-Cyclopentyl-4-[2-(dimethylamino)-2-oxoethyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide

  • Molecular FormulaC16H28N4O4S
  • Average mass372.483 Da
  • Monoisotopic mass372.183136 Da
  • ChemSpider ID29721060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aR) 6,6-Dioxyde de N-cyclopentyl-4-[2-(diméthylamino)-2-oxoéthyl]hexahydrothiéno[3,4-b]pyrazine-1(2H)-carboxamide [French] [ACD/IUPAC Name]
(4aS,7aR)-N-Cyclopentyl-4-[2-(dimethylamino)-2-oxoethyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-carboxamid-6,6-dioxid [German] [ACD/IUPAC Name]
(4aS,7aR)-N-Cyclopentyl-4-[2-(dimethylamino)-2-oxoethyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine-1(2H)-acetamide, 4-[(cyclopentylamino)carbonyl]hexahydro-N,N-dimethyl-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aS*,7aR*)-N-cyclopentyl-4-[2-(dimethylamino)-2-oxoethyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 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: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.29
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.43
Polar Surface Area: 98 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

Click to predict properties on the Chemicalize site


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