ChemSpider 2D Image | (9R)-9-Isobutyl-18,19-dimethoxy-14-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]-4,8,11,14-tetraazatricyclo[14.3.1.1~2,6~]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione | C34H38N6O5

(9R)-9-Isobutyl-18,19-dimethoxy-14-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione

  • Molecular FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID71269495

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-9-Isobutyl-18,19-dimethoxy-14-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaen-7,10-dion [German] [ACD/IUPAC Name]
(9R)-9-Isobutyl-18,19-dimethoxy-14-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]-4,8,11,14-tetraazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-7,10-dione [ACD/IUPAC Name]
(9R)-9-Isobutyl-18,19-diméthoxy-14-[(5-méthyl-2-phényl-1H-imidazol-4-yl)carbonyl]-4,8,11,14-tétraazatricyclo[14.3.1.12,6]hénicosa-1(20),2(21),3,5,16,18-hexaène-7,10-dione [French] [ACD/IUPAC Name]
4,8,11,14-Tetraazatricyclo[14.3.1.12,6]heneicosa-1(20),2,4,6(21),16,18-hexaene-7,10-dione, 18,19-dimethoxy-14-[(5-methyl-2-phenyl-1H-imidazol-4-yl)carbonyl]-9-(2-methylpropyl)-, (9R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 959.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 533.8±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.16
ACD/KOC (pH 5.5): 412.83
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.78
ACD/KOC (pH 7.4): 457.91
Polar Surface Area: 139 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 508.7±3.0 cm3

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