ChemSpider 2D Image | Edicotinib | C27H35N5O2


  • Molecular FormulaC27H35N5O2
  • Average mass461.599 Da
  • Monoisotopic mass461.279083 Da
  • ChemSpider ID34951020

More details:

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

1142363-52-7 [RN]
1H-Imidazole-2-carboxamide, 5-cyano-N-[2-(4,4-dimethyl-1-cyclohexen-1-yl)-6-(tetrahydro-2,2,6,6-tetramethyl-2H-pyran-4-yl)-3-pyridinyl]- [ACD/Index Name]
5-Cyan-N-[2-(4,4-dimethyl-1-cyclohexen-1-yl)-6-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-3-pyridinyl]-1H-imidazol-2-carboxamid [German] [ACD/IUPAC Name]
5-Cyano-N-[2-(4,4-dimethyl-1-cyclohexen-1-yl)-6-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide [ACD/IUPAC Name]
5-Cyano-N-[2-(4,4-diméthyl-1-cyclohexén-1-yl)-6-(2,2,6,6-tétraméthyltétrahydro-2H-pyran-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide [French] [ACD/IUPAC Name]
edicotinib [Spanish] [INN]
Edicotinib [INN] [USAN]
édicotinib [French] [INN]
edicotinibum [Latin] [INN]

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

JNJ-40346527 [DBID]
US8497376, 15 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1240.80
ACD/KOC (pH 5.5): 5310.45
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 344.59
ACD/KOC (pH 7.4): 1474.81
Polar Surface Area: 104 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 384.7±5.0 cm3

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