ChemSpider 2D Image | 2-Methyl-2-propanyl 1-{4-[(E)-(4-amino-2-thioxo-3(2H)-azetylidene)methyl]phenyl}-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate | C30H45N3O9S

2-Methyl-2-propanyl 1-{4-[(E)-(4-amino-2-thioxo-3(2H)-azetylidene)methyl]phenyl}-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate

  • Molecular FormulaC30H45N3O9S
  • Average mass623.758 Da
  • Monoisotopic mass623.287659 Da
  • ChemSpider ID102523773

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(E)-(4-Amino-2-thioxo-3(2H)-azétylidène)méthyl]phényl}-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-{4-[(E)-(4-amino-2-thioxo-3(2H)-azetylidene)methyl]phenyl}-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-{4-[(E)-(4-amino-2-thioxo-3(2H)-azetyliden)methyl]phenyl}-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oat [German] [ACD/IUPAC Name]
5,8,11,14,17,20-Hexaoxa-2-azatricosan-23-oic acid, 1-[4-[(E)-(4-amino-2-thioxo-3(2H)-azetylidene)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: 1.543
Molar Refractivity: 162.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.90
ACD/KOC (pH 5.5): 274.45
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.90
ACD/KOC (pH 7.4): 274.45
Polar Surface Area: 181 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 515.2±7.0 cm3

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