ChemSpider 2D Image | (4S)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl N-[(1E)-N-(ethylsulfonyl)-2-(4-methoxyphenyl)ethanimidoyl]glycinate | C33H32N4O8S

(4S)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl N-[(1E)-N-(ethylsulfonyl)-2-(4-methoxyphenyl)ethanimidoyl]glycinate

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID58914843

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-4-yl-N-[(1E)-N-(ethylsulfonyl)-2-(4-methoxyphenyl)ethanimidoyl]glycinat [German] [ACD/IUPAC Name]
(4S)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl N-[(1E)-N-(ethylsulfonyl)-2-(4-methoxyphenyl)ethanimidoyl]glycinate [ACD/IUPAC Name]
Glycine, N-[(1E)-1-[(ethylsulfonyl)imino]-2-(4-methoxyphenyl)ethyl]-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester [ACD/Index Name]
N-[(1E)-N-(Éthylsulfonyl)-2-(4-méthoxyphényl)ethanimidoyl]glycinate de (4S)-4-éthyl-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 947.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 526.6±37.1 °C
Index of Refraction: 1.673
Molar Refractivity: 168.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 137.87
ACD/KOC (pH 5.5): 1141.43
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.15
ACD/KOC (pH 7.4): 1292.83
Polar Surface Area: 162 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 450.8±7.0 cm3

Click to predict properties on the Chemicalize site


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