Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | (betaS)-Nalpha-{[4-(Cyclobutylcarbonyl)-1-piperazinyl]carbonyl}-N-{5-[(dimethylamino)methyl]-2-ethoxyphenyl}-beta-methyl-D-tryptophanamide | C33H44N6O4

(βS)-Nα-{[4-(Cyclobutylcarbonyl)-1-piperazinyl]carbonyl}-N-{5-[(dimethylamino)methyl]-2-ethoxyphenyl}-β-methyl-D-tryptophanamide

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID90659641

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(βS)-Nα-{[4-(Cyclobutylcarbonyl)-1-piperazinyl]carbonyl}-N-{5-[(dimethylamino)methyl]-2-ethoxyphenyl}-β-methyl-D-tryptophanamid [German] [ACD/IUPAC Name]
(βS)-Nα-{[4-(Cyclobutylcarbonyl)-1-piperazinyl]carbonyl}-N-{5-[(dimethylamino)methyl]-2-ethoxyphenyl}-β-methyl-D-tryptophanamide [ACD/IUPAC Name]
(βS)-Nα-{[4-(Cyclobutylcarbonyl)-1-pipérazinyl]carbonyl}-N-{5-[(diméthylamino)méthyl]-2-éthoxyphényl}-β-méthyl-D-tryptophaneamide [French] [ACD/IUPAC Name]
1H-Indole-3-propanamide, α-[[[4-(cyclobutylcarbonyl)-1-piperazinyl]carbonyl]amino]-N-[5-[(dimethylamino)methyl]-2-ethoxyphenyl]-β-methyl-, (αR,βS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 852.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 13.30
ACD/KOC (pH 7.4): 95.95
Polar Surface Area: 110 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 468.8±3.0 cm3

Click to predict properties on the Chemicalize site


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