Found 1 result

Search term: COc1cc2nncc(-c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-{1-[5-(6,7-Dimethoxy-4-cinnolinyl)-3-methyl-2-pyridinyl]-4-piperidinyl}-2-propanol | C24H30N4O3

2-{1-[5-(6,7-Dimethoxy-4-cinnolinyl)-3-methyl-2-pyridinyl]-4-piperidinyl}-2-propanol

  • Molecular FormulaC24H30N4O3
  • Average mass422.520 Da
  • Monoisotopic mass422.231781 Da
  • ChemSpider ID28497529

More details:

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

2-{1-[5-(6,7-Dimethoxy-4-cinnolinyl)-3-methyl-2-pyridinyl]-4-piperidinyl}-2-propanol [German] [ACD/IUPAC Name]
2-{1-[5-(6,7-Dimethoxy-4-cinnolinyl)-3-methyl-2-pyridinyl]-4-piperidinyl}-2-propanol [ACD/IUPAC Name]
2-{1-[5-(6,7-Diméthoxy-4-cinnolinyl)-3-méthyl-2-pyridinyl]-4-pipéridinyl}-2-propanol [French] [ACD/IUPAC Name]
2-{1-[5-(6,7-Dimethoxycinnolin-4-Yl)-3-Methylpyridin-2-Yl]piperidin-4-Yl}propan-2-Ol
4-Piperidinemethanol, 1-[5-(6,7-dimethoxy-4-cinnolinyl)-3-methyl-2-pyridinyl]-α,α-dimethyl- [ACD/Index Name]
0JQ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.0±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 7.74
ACD/KOC (pH 5.5): 67.89
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 106.11
ACD/KOC (pH 7.4): 930.26
Polar Surface Area: 81 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

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