ChemSpider 2D Image | Methyl 4-methoxy-5-({8-[3-(3-thienyl)acryloyl]-2,8-diazaspiro[4.5]dec-2-yl}sulfonyl)-3-thiophenecarboxylate | C22H26N2O6S3

Methyl 4-methoxy-5-({8-[3-(3-thienyl)acryloyl]-2,8-diazaspiro[4.5]dec-2-yl}sulfonyl)-3-thiophenecarboxylate

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID2655008

More details:

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

3-Thiophenecarboxylic acid, 4-methoxy-5-[[8-[1-oxo-3-(3-thienyl)-2-propen-1-yl]-2,8-diazaspiro[4.5]dec-2-yl]sulfonyl]-, methyl ester [ACD/Index Name]
4-Méthoxy-5-({8-[3-(3-thiényl)acryloyl]-2,8-diazaspiro[4.5]déc-2-yl}sulfonyl)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-methoxy-5-({8-[3-(3-thienyl)acryloyl]-2,8-diazaspiro[4.5]dec-2-yl}sulfonyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-methoxy-5-({8-[3-(3-thienyl)acryloyl]-2,8-diazaspiro[4.5]dec-2-yl}sulfonyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 740.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.95
ACD/KOC (pH 5.5): 1403.10
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.95
ACD/KOC (pH 7.4): 1403.11
Polar Surface Area: 158 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 351.6±5.0 cm3

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