ChemSpider 2D Image | (12aR)-6-(4-Isopropylphenyl)-2-(2,2,6,6-tetramethyl-4-piperidinyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C32H40N4O2

(12aR)-6-(4-Isopropylphenyl)-2-(2,2,6,6-tetramethyl-4-piperidinyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID21352492

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aR)-6-(4-Isopropylphenyl)-2-(2,2,6,6-tetramethyl-4-piperidinyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12aR)-6-(4-Isopropylphenyl)-2-(2,2,6,6-tetramethyl-4-piperidinyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12aR)-6-(4-Isopropylphényl)-2-(2,2,6,6-tétraméthyl-4-pipéridinyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2,3,6,7,12,12a-hexahydro-6-[4-(1-methylethyl)phenyl]-2-(2,2,6,6-tetramethyl-4-piperidinyl)-, (12aR)- [ACD/Index Name]
(12aR)-6-(4-isopropylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 14.11
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 10.44
ACD/KOC (pH 7.4): 30.74
Polar Surface Area: 68 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 415.2±5.0 cm3

Click to predict properties on the Chemicalize site


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