ChemSpider 2D Image | Ethyl {(4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl}acetate | C20H21N5O6

Ethyl {(4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl}acetate

  • Molecular FormulaC20H21N5O6
  • Average mass427.411 Da
  • Monoisotopic mass427.149170 Da
  • ChemSpider ID62563601

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(4S)-6-Amino-4-[4-(2-amino-2-oxoéthoxy)-3-méthoxyphényl]-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl {(4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-3-yl}acetate [ACD/IUPAC Name]
Ethyl-{(4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyan-2,4-dihydropyrano[2,3-c]pyrazol-3-yl}acetat [German] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-3-acetic acid, 6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5-cyano-2,4-dihydro-, ethyl ester, (4S)- [ACD/Index 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: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.20
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.20
Polar Surface Area: 176 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 294.2±5.0 cm3

Click to predict properties on the Chemicalize site


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