ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(Z)-{[({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-5-methoxy-7-methyl-1H-indole-1-carboxylate | C29H32F2N6O5S

2-Methyl-2-propanyl 4-[(Z)-{[({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-5-methoxy-7-methyl-1H-indole-1-carboxylate

  • Molecular FormulaC29H32F2N6O5S
  • Average mass614.663 Da
  • Monoisotopic mass614.212280 Da
  • ChemSpider ID100622139

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-1-carboxylic acid, 4-[(Z)-[2-[2-[[5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-5-methoxy-7-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(Z)-{[({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-5-methoxy-7-methyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(Z)-{[({5-[2-(difluormethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-5-methoxy-7-methyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
4-[(Z)-{[2-({5-[2-(Difluorométhoxy)phényl]-4-éthyl-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]-5-méthoxy-7-méthyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [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: 1.609
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3257.06
ACD/KOC (pH 5.5): 11378.15
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3255.98
ACD/KOC (pH 7.4): 11374.38
Polar Surface Area: 147 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 459.3±7.0 cm3

Click to predict properties on the Chemicalize site


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