ChemSpider 2D Image | 4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]butanamide | C35H37N7O6

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]butanamide

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID60552875

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]butanamid [German] [ACD/IUPAC Name]
4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]butanamide [ACD/IUPAC Name]
4-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[5-(1H-indol-3-yl)-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 176.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.29
ACD/KOC (pH 5.5): 684.72
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.33
ACD/KOC (pH 7.4): 685.16
Polar Surface Area: 172 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

Click to predict properties on the Chemicalize site


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