ChemSpider 2D Image | 2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one | C35H40N8O4

2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one

  • Molecular FormulaC35H40N8O4
  • Average mass636.743 Da
  • Monoisotopic mass636.317261 Da
  • ChemSpider ID76755181

More details:

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

2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-on [German] [ACD/IUPAC Name]
2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one [ACD/IUPAC Name]
2-[3'-(Hydroxyméthyl)-1-méthyl-5-({5-[4-(3-oxétanyl)-1-pipérazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one [French] [ACD/IUPAC Name]
Pyrazino[1,2-a]indol-1(2H)-one, 2-[1,6-dihydro-3'-(hydroxymethyl)-1-methyl-5-[[5-[4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl]amino]-6-oxo[3,4'-bipyridin]-2'-yl]-3,4,6,7,8,9-hexahydro- [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: 960.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.6±3.0 kJ/mol
Flash Point: 534.9±34.3 °C
Index of Refraction: 1.751
Molar Refractivity: 176.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 74.22
Polar Surface Area: 119 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 432.1±7.0 cm3

Click to predict properties on the Chemicalize site


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