ChemSpider 2D Image | Ethyl 2-{[4-({(2S)-1-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate | C26H25ClFN3O5S

Ethyl 2-{[4-({(2S)-1-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

  • Molecular FormulaC26H25ClFN3O5S
  • Average mass546.010 Da
  • Monoisotopic mass545.118774 Da
  • ChemSpider ID4608589

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[4-({(2S)-1-[(2Z)-2-(2-Chloro-6-fluorobenzylidène)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5-diméthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[4-[(1S)-2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylene]hydrazinyl]-1-methyl-2-oxoethoxy]benzoyl]amino]-4,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[4-({(2S)-1-[(2Z)-2-(2-chloro-6-fluorobenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-({(2S)-1-[(2Z)-2-(2-chlor-6-fluorbenzyliden)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5-dimethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

ZINC01785571 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26631.72
ACD/KOC (pH 5.5): 51201.86
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26628.22
ACD/KOC (pH 7.4): 51195.11
Polar Surface Area: 134 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

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