ChemSpider 2D Image | Ethyl 2-({2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetoxy]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H37N3O7S

Ethyl 2-({2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetoxy]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID11034608

More details:

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

1,3-Diazaspiro[4.5]decane-3-acetic acid, 7,7,9-trimethyl-2,4-dioxo-, 2-[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
2-({2-[2-(7,7,9-Triméthyl-2,4-dioxo-1,3-diazaspiro[4.5]déc-3-yl)acétoxy]propanoyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-({2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetoxy]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetoxy]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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: 1.589
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16660.89
ACD/KOC (pH 5.5): 36599.46
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16619.38
ACD/KOC (pH 7.4): 36508.27
Polar Surface Area: 159 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

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