ChemSpider 2D Image | 2-Methyl-2-propanyl 1-{4-[(Z)-{[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazono}methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate | C34H49N3O8S

2-Methyl-2-propanyl 1-{4-[(Z)-{[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazono}methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate

  • Molecular FormulaC34H49N3O8S
  • Average mass659.833 Da
  • Monoisotopic mass659.324036 Da
  • ChemSpider ID100680854

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(Z)-{[(6-Éthyl-4,5,6,7-tétrahydro-1-benzothiophén-3-yl)carbonyl]hydrazono}méthyl]phényl}-1-oxo-5,8,11,14-tétraoxa-2-azaheptadécan-17-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-{4-[(Z)-{[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazono}methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-{4-[(Z)-{[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazono}methyl]phenyl}-1-oxo-5,8,11,14-tetraoxa-2-azaheptadecan-17-oat [German] [ACD/IUPAC Name]
5,8,11,14-Tetraoxa-2-azaheptadecan-17-oic acid, 1-[4-[(Z)-[2-[(6-ethyl-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)carbonyl]hydrazinylidene]methyl]phenyl]-1-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]

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: 1.563
Molar Refractivity: 177.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1903.43
ACD/KOC (pH 5.5): 7746.21
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1903.39
ACD/KOC (pH 7.4): 7746.07
Polar Surface Area: 162 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 548.0±7.0 cm3

Click to predict properties on the Chemicalize site


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