ChemSpider 2D Image | Ethyl 2-{[4-({1-[(2E)-2-(4-isopropylbenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C32H37N3O5S

Ethyl 2-{[4-({1-[(2E)-2-(4-isopropylbenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC32H37N3O5S
  • Average mass575.718 Da
  • Monoisotopic mass575.245361 Da
  • ChemSpider ID20517384

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[4-({1-[(2E)-2-(4-Isopropylbenzylidène)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-6-méthyl-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[4-[1-methyl-2-[(2E)-2-[[4-(1-methylethyl)phenyl]methylene]hydrazinyl]-2-oxoethoxy]benzoyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[4-({1-[(2E)-2-(4-isopropylbenzylidene)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-({1-[(2E)-2-(4-isopropylbenzyliden)hydrazino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 2-(4-((1-(2-(4-isopropylbenzylidene)hydrazinyl)-1-oxopropan-2-yl)oxy)benzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-({4-[(N-{(1E)-2-[4-(methylethyl)phenyl]-1-azavinyl}carbamoyl)ethoxy]phenyl}carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.00
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 249900.73
ACD/KOC (pH 5.5): 254270.70
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 249894.98
ACD/KOC (pH 7.4): 254264.84
Polar Surface Area: 134 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 461.9±7.0 cm3

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