Found 43 results

Search term: MF = 'C_{36}H_{42}N_{6}O_{5}'
ChemSpider 2D Image | N-[6-Acetamido-1-(1H-benzimidazol-2-yl)-1-oxo-2-hexanyl]-2-(2,6-dimethyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C36H42N6O5

N-[6-Acetamido-1-(1H-benzimidazol-2-yl)-1-oxo-2-hexanyl]-2-(2,6-dimethyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC36H42N6O5
  • Average mass638.756 Da
  • Monoisotopic mass638.321655 Da
  • ChemSpider ID24612048

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Isoquinolinecarboxamide, N-[5-(acetylamino)-1-(1H-benzimidazol-2-ylcarbonyl)pentyl]-2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro- [ACD/Index Name]
N-[6-Acetamido-1-(1H-benzimidazol-2-yl)-1-oxo-2-hexanyl]-2-(2,6-dimethyltyrosyl)-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
N-[6-Acétamido-1-(1H-benzimidazol-2-yl)-1-oxo-2-hexanyl]-2-(2,6-diméthyltyrosyl)-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[6-Acetamido-1-(1H-benzimidazol-2-yl)-1-oxo-2-hexanyl]-2-(2,6-dimethyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 17.35
ACD/KOC (pH 7.4): 192.73
Polar Surface Area: 171 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 497.8±3.0 cm3

Click to predict properties on the Chemicalize site


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