Found 23 results

Search term: MF = 'C_{36}H_{39}NO_{3}'
ChemSpider 2D Image | N-{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}-N,4-dimethylbenzamide (non-preferred name) | C36H39NO3

N-{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}-N,4-dimethylbenzamide (non-preferred name)

  • Molecular FormulaC36H39NO3
  • Average mass533.700 Da
  • Monoisotopic mass533.292969 Da
  • ChemSpider ID90658606

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, N-[4-[(11β,17β)-17-hydroxy-3-oxo-17-(1-propyn-1-yl)estra-4,9-dien-11-yl]phenyl]-N,4-dimethyl- [ACD/Index Name]
N-{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propin-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}-N,4-dimethylbenzamid (non-preferred name) [German] [ACD/IUPAC Name]
N-{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-methyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl]phenyl}-N,4-dimethylbenzamide (non-preferred name) [ACD/IUPAC Name]
N-{4-[(8S,11R,13S,14S,17S)-17-Hydroxy-13-méthyl-3-oxo-17-(1-propyn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodécahydro-1H-cyclopenta[a]phénanthrén-11-yl]phényl}-N,4-diméthylbenzamide (non-preferred name) [French] [ACD/IUPAC 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: 741.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 157.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11639.71
ACD/KOC (pH 5.5): 28313.28
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11639.67
ACD/KOC (pH 7.4): 28313.18
Polar Surface Area: 58 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

Click to predict properties on the Chemicalize site


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