ChemSpider 2D Image | tert-butyl {4-[(tert-butoxycarbonyl)amino]butyl}[3-({(E)-[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl]methylidene}amino)propyl]carbamate (non-preferred name) | C38H49N5O8

tert-butyl {4-[(tert-butoxycarbonyl)amino]butyl}[3-({(E)-[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl]methylidene}amino)propyl]carbamate (non-preferred name)

  • Molecular FormulaC38H49N5O8
  • Average mass703.824 Da
  • Monoisotopic mass703.358093 Da
  • ChemSpider ID9574718

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{3-[(E)-{[(4S)-4-Éthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-11-yl]méthylène}amino]propyl}[4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butyl]carbama te de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {3-[(E)-{[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl]methylene}amino]propyl}[4-({[(2-methyl-2-propanyl)oxy]carbonyl} amino)butyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{3-[(E)-{[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-11-yl]methylen}amino]propyl}[4-({[(2-methyl-2-propanyl)oxy]carbonyl}a mino)butyl]carbamat [German] [ACD/IUPAC Name]
tert-butyl {4-[(tert-butoxycarbonyl)amino]butyl}[3-({(E)-[(4S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl]methylidene}amino)propyl]carbamate (non-preferred name)
(4-{[3-(camptothecinyl-7-methylidene)amino)propyl]-tertbutoxycarbonylamino}butyl)carbamic acid tert-butyl
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377859/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 938.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.1±3.0 kJ/mol
Flash Point: 521.5±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 190.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2714.06
ACD/KOC (pH 5.5): 9943.04
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2754.19
ACD/KOC (pH 7.4): 10090.03
Polar Surface Area: 160 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 551.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement