ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(3,4-dimethylphenyl)-3-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate | C29H36N4O4S

2-Methyl-2-propanyl 2-(3,4-dimethylphenyl)-3-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID22495249

More details:

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

1,4,8-Triazaspiro[4.5]deca-1,3-diene-8-carboxylic acid, 2-(3,4-dimethylphenyl)-3-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(3,4-Diméthylphényl)-3-({2-[(4-méthoxyphényl)amino]-2-oxoéthyl}sulfanyl)-1,4,8-triazaspiro[4.5]déca-1,3-diène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(3,4-dimethylphenyl)-3-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(3,4-dimethylphenyl)-3-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-carboxylat [German] [ACD/IUPAC 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: 1.609
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 11393.62
ACD/KOC (pH 5.5): 25004.73
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16619.37
ACD/KOC (pH 7.4): 36473.30
Polar Surface Area: 118 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 437.2±7.0 cm3

Click to predict properties on the Chemicalize site


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