ChemSpider 2D Image | 2-Methyl-2-propanyl 1-acetyl-3-{[(2E)-2-(methoxyimino)acetyl]amino}-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate | C16H25N5O5S

2-Methyl-2-propanyl 1-acetyl-3-{[(2E)-2-(methoxyimino)acetyl]amino}-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate

  • Molecular FormulaC16H25N5O5S
  • Average mass399.465 Da
  • Monoisotopic mass399.157654 Da
  • ChemSpider ID64940731
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Acétyl-3-{[(2E)-2-(méthoxyimino)acétyl]amino}-4-thia-1,2,8-triazaspiro[4.5]déc-2-ène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-acetyl-3-{[(2E)-2-(methoxyimino)acetyl]amino}-4-thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-acetyl-3-{[(2E)-2-(methoxyimino)acetyl]amino}-4-thia-1,2,8-triazaspiro[4.5]dec-2-en-8-carboxylat [German] [ACD/IUPAC Name]
4-Thia-1,2,8-triazaspiro[4.5]dec-2-ene-8-carboxylic acid, 1-acetyl-3-[[(2E)-2-(methoxyimino)-1-oxoethyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.34
ACD/KOC (pH 5.5): 124.10
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.21
Polar Surface Area: 138 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 294.5±7.0 cm3

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