ChemSpider 2D Image | (4aS,8aR)-N,N,1-Trimethyl-6-[4-(trifluoromethoxy)benzyl]octahydro-4aH-pyrido[4,3-c][1,2]thiazine-4a-carboxamide 2,2-dioxide | C19H26F3N3O4S

(4aS,8aR)-N,N,1-Trimethyl-6-[4-(trifluoromethoxy)benzyl]octahydro-4aH-pyrido[4,3-c][1,2]thiazine-4a-carboxamide 2,2-dioxide

  • Molecular FormulaC19H26F3N3O4S
  • Average mass449.488 Da
  • Monoisotopic mass449.159607 Da
  • ChemSpider ID65005463

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,8aR) 2,2-Dioxyde de N,N,1-triméthyl-6-[4-(trifluorométhoxy)benzyl]octahydro-4aH-pyrido[4,3-c][1,2]thiazine-4a-carboxamide [French] [ACD/IUPAC Name]
(4aS,8aR)-N,N,1-Trimethyl-6-[4-(trifluormethoxy)benzyl]octahydro-4aH-pyrido[4,3-c][1,2]thiazin-4a-carboxamid-2,2-dioxid [German] [ACD/IUPAC Name]
(4aS,8aR)-N,N,1-Trimethyl-6-[4-(trifluoromethoxy)benzyl]octahydro-4aH-pyrido[4,3-c][1,2]thiazine-4a-carboxamide 2,2-dioxide [ACD/IUPAC Name]
4aH-Pyrido[4,3-c][1,2]thiazine-4a-carboxamide, octahydro-N,N,1-trimethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-, 2,2-dioxide, (4aS,8aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.0±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 16.22
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 18.61
ACD/KOC (pH 7.4): 264.93
Polar Surface Area: 79 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

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