ChemSpider 2D Image | (4aR,7aS)-N,N-Dimethyl-4-{[2-(methylamino)-5-pyrimidinyl]carbonyl}hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide | C15H22N6O4S

(4aR,7aS)-N,N-Dimethyl-4-{[2-(methylamino)-5-pyrimidinyl]carbonyl}hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide

  • Molecular FormulaC15H22N6O4S
  • Average mass382.438 Da
  • Monoisotopic mass382.142334 Da
  • ChemSpider ID29535029

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS) 6,6-Dioxyde de N,N-diméthyl-4-{[2-(méthylamino)-5-pyrimidinyl]carbonyl}hexahydrothiéno[3,4-b]pyrazine-1(2H)-carboxamide [French] [ACD/IUPAC Name]
(4aR,7aS)-N,N-Dimethyl-4-{[2-(methylamino)-5-pyrimidinyl]carbonyl}hexahydrothieno[3,4-b]pyrazin-1(2H)-carboxamid-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-N,N-Dimethyl-4-{[2-(methylamino)-5-pyrimidinyl]carbonyl}hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine-1(2H)-carboxamide, hexahydro-N,N-dimethyl-4-[[2-(methylamino)-5-pyrimidinyl]carbonyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
(4aR*,7aS*)-N,N-dimethyl-4-{[2-(methylamino)-5-pyrimidinyl]carbonyl}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: 1.4±0.1 g/cm3
Boiling Point: 703.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±35.7 °C
Index of Refraction: 1.617
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.36
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.37
Polar Surface Area: 124 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

Click to predict properties on the Chemicalize site


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