ChemSpider 2D Image | (17alpha)-N-(6-{[(5,11-Dimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazol-2-yl)carbonyl]amino}hexyl)-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-21-amide | C44H54N4O4

(17α)-N-(6-{[(5,11-Dimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazol-2-yl)carbonyl]amino}hexyl)-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-21-amide

  • Molecular FormulaC44H54N4O4
  • Average mass702.924 Da
  • Monoisotopic mass702.414490 Da
  • ChemSpider ID8007314

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-N-(6-{[(5,11-Dimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazol-2-yl)carbonyl]amino}hexyl)-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-21-amid [German] [ACD/IUPAC Name]
(17α)-N-(6-{[(5,11-Dimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazol-2-yl)carbonyl]amino}hexyl)-3,17-dihydroxy-19-norpregna-1,3,5(10)-trien-21-amide [ACD/IUPAC Name]
(17α)-N-(6-{[(5,11-Diméthyl-1,6-dihydro-2H-pyrido[4,3-b]carbazol-2-yl)carbonyl]amino}hexyl)-3,17-dihydroxy-19-norprégna-1,3,5(10)-trién-21-amide [French] [ACD/IUPAC Name]
2H-Pyrido[4,3-b]carbazole-2-carboxamide, N-[6-[[2-[(17β)-3,17-dihydroxyestra-1,3,5(10)-trien-17-yl]acetyl]amino]hexyl]-1,6-dihydro-5,11-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 990.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.4±3.0 kJ/mol
Flash Point: 553.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 207.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 7.81
ACD/BCF (pH 5.5): 505941.31
ACD/KOC (pH 5.5): 421001.19
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 505269.59
ACD/KOC (pH 7.4): 420442.25
Polar Surface Area: 118 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 568.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement