ChemSpider 2D Image | Benzyl N-{[(1-{[2-(dimethylamino)ethyl]carbamoyl}-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]carbonyl}-beta-alaninate | C33H35N5O5

Benzyl N-{[(1-{[2-(dimethylamino)ethyl]carbamoyl}-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]carbonyl}-β-alaninate

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID8682882

More details:

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

Benzyl N-{[(1-{[2-(dimethylamino)ethyl]carbamoyl}-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]carbonyl}-β-alaninate [ACD/IUPAC Name]
Benzyl-N-{[(1-{[2-(dimethylamino)ethyl]carbamoyl}-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]carbonyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{[(1-{[2-(Diméthylamino)éthyl]carbamoyl}-5,6-diméthyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]carbonyl}-β-alaninate de benzyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[1-[[[2-(dimethylamino)ethyl]amino]carbonyl]-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl]oxy]carbonyl]-, phenylmethyl ester [ACD/Index Name]
3-[1-(2-Dimethylamino-ethylcarbamoyl)-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yloxycarbonylamino]-propionic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302768/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 163.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 12.37
ACD/KOC (pH 5.5): 45.61
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 572.86
ACD/KOC (pH 7.4): 2112.34
Polar Surface Area: 115 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 457.3±7.0 cm3

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