ChemSpider 2D Image | (8aR,12aR,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g][1,6]naphthyridine | C18H26N2O3S

(8aR,12aR,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g][1,6]naphthyridine

  • Molecular FormulaC18H26N2O3S
  • Average mass350.476 Da
  • Monoisotopic mass350.166412 Da
  • ChemSpider ID23155273

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8aR,12aR,13aS)-3-Methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isochinolino[2,1-g][1,6]naphthyridin [German] [ACD/IUPAC Name]
(8aR,12aR,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g][1,6]naphthyridine
(8aR,12aR,13aS)-3-Méthoxy-12-(méthylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-décahydro-6H-isoquinoléino[2,1-g][1,6]naphtyridine [French] [ACD/IUPAC Name]
(8aR,12aR,13aS)-3-Methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridine [ACD/IUPAC Name]
6H-Isoquino[2,1-g][1,6]naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aR,12aR,13aS)- [ACD/Index Name]
(4aR,12bS,13aR)-1-methanesulfonyl-10-methoxy-2,3,4,4a,5,7,8,12b,13,13a-decahydro-1H-1,6000000-diazatetraphene
11-Methanesulfonyl-3-methoxy-5,7,7a,8,9,10,11,11a,12,12a-decahydro-6H-6a,11-diaza-benzo[a]anthracene
HCl [Formula]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.7±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 10.17
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 60.33
ACD/KOC (pH 7.4): 480.51
Polar Surface Area: 58 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 269.7±5.0 cm3

Click to predict properties on the Chemicalize site


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