ChemSpider 2D Image | (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 4-(2-{5-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1H- indol-1-yl}ethyl)-1-piperidinecarboxylate | C49H49N7O9

(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 4-(2-{5-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1H- indol-1-yl}ethyl)-1-piperidinecarboxylate

  • Molecular FormulaC49H49N7O9
  • Average mass879.955 Da
  • Monoisotopic mass879.359192 Da
  • ChemSpider ID81367702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl-4-(2-{5-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1H- indol-1-yl}ethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 4-(2-{5-[3-(2,4-dihydroxy-5-isopropylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1H- indol-1-yl}ethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-[2-[5-[3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]-1H-indol-1-yl]ethyl]-, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-di oxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester [ACD/Index Name]
4-(2-{5-[3-(2,4-Dihydroxy-5-isopropylphényl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-1H-indol-1-yl}éthyl)-1-pipéridinecarboxylate de (4S)-4,11-diéthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyr ano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yle [French] [ACD/IUPAC Name]
1472614-83-7 [RN]
Unii-56DL1J49LR

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 236.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 3840.23
ACD/KOC (pH 5.5): 11645.01
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2662.17
ACD/KOC (pH 7.4): 8072.70
Polar Surface Area: 199 Å2
Polarizability: 93.7±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 586.4±7.0 cm3

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