Found 303 results

Search term: MF = 'C_{30}H_{25}N_{5}O_{4}'
ChemSpider 2D Image | (12aR)-2-[2-(1H-Indol-3-yl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C30H25N5O4

(12aR)-2-[2-(1H-Indol-3-yl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC30H25N5O4
  • Average mass519.551 Da
  • Monoisotopic mass519.190674 Da
  • ChemSpider ID71292293

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aR)-2-[2-(1H-Indol-3-yl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12aR)-2-[2-(1H-Indol-3-yl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12aR)-2-[2-(1H-Indol-3-yl)éthyl]-6-(3-nitrophényl)-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-2-[2-(1H-indol-3-yl)ethyl]-6-(3-nitrophenyl)-, (12aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 854.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 470.4±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 909.93
ACD/KOC (pH 5.5): 4567.27
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 909.93
ACD/KOC (pH 7.4): 4567.27
Polar Surface Area: 118 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 345.9±5.0 cm3

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