ChemSpider 2D Image | N-[4-(5-{[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}-2-furyl)phenyl]-1-benzofuran-2-carboxamide | C29H29N3O5

N-[4-(5-{[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}-2-furyl)phenyl]-1-benzofuran-2-carboxamide

  • Molecular FormulaC29H29N3O5
  • Average mass499.558 Da
  • Monoisotopic mass499.210724 Da
  • ChemSpider ID24639148

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Benzofurancarboxamide, N-[4-[5-[[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]amino]carbonyl]-2-furanyl]phenyl]- [ACD/Index Name]
N-[4-(5-{[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}-2-furyl)phenyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-[4-(5-{[(1S)-1-Cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}-2-furyl)phenyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-[4-(5-{[(1S)-1-Cyclohexyl-2-(méthylamino)-2-oxoéthyl]carbamoyl}-2-furyl)phényl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide

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

518 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.7±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 717.94
ACD/KOC (pH 5.5): 3854.68
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.97
ACD/KOC (pH 7.4): 3849.47
Polar Surface Area: 114 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 393.1±3.0 cm3

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