ChemSpider 2D Image | 2-Bromo-N-{[(4S)-4-ethyl-4-hydroxy-11-methyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl}acetamide | C24H22BrN3O5

2-Bromo-N-{[(4S)-4-ethyl-4-hydroxy-11-methyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl}acetamide

  • Molecular FormulaC24H22BrN3O5
  • Average mass512.353 Da
  • Monoisotopic mass511.074280 Da
  • ChemSpider ID2338899

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Brom-N-{[(4S)-4-ethyl-4-hydroxy-11-methyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl]methyl}acetamid [German] [ACD/IUPAC Name]
2-Bromo-N-{[(4S)-4-éthyl-4-hydroxy-11-méthyl-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
2-Bromo-N-{[(4S)-4-ethyl-4-hydroxy-11-methyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl}acetamide [ACD/IUPAC Name]
Acetamide, 2-bromo-N-[[(4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-11-methyl-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]methyl]- [ACD/Index Name]
131206-46-7 [RN]
7-Methyl-10-bromoacetamidomethylcamptothecin
Acetamide, 2-bromo-N-((4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-11-methyl-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl)methyl)-, (S)-
Brcptme

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

Density: 1.6±0.1 g/cm3
Boiling Point: 919.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.0±3.0 kJ/mol
Flash Point: 509.7±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 11.16
ACD/KOC (pH 5.5): 178.98
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.23
ACD/KOC (pH 7.4): 244.07
Polar Surface Area: 109 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 311.3±5.0 cm3

Click to predict properties on the Chemicalize site


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