ChemSpider 2D Image | 4-[6-Amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-thiophenecarboxylate | C27H22N4O5S

4-[6-Amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-thiophenecarboxylate

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID2689095

More details:

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

2-Thiophènecarboxylate de 4-[6-amino-5-cyano-3-(4-méthoxyphényl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-éthoxyphényle [French] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 4-[6-amino-5-cyano-2,4-dihydro-3-(4-methoxyphenyl)pyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl ester [ACD/Index Name]
4-[6-Amino-5-cyan-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
4-[6-Amino-5-cyano-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-thiophenecarboxylate [ACD/IUPAC Name]
4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl thiophene-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 799.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1049.80
ACD/KOC (pH 5.5): 5059.31
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1049.83
ACD/KOC (pH 7.4): 5059.42
Polar Surface Area: 161 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 352.3±5.0 cm3

Click to predict properties on the Chemicalize site


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