ChemSpider 2D Image | N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(2-naphthyl)-D-alanyl-N,N~2~-dimethyl-N-1-piperidinyl-3-(2-thienyl)-D-alaninamide | C33H44N4O4S

N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(2-naphthyl)-D-alanyl-N,N2-dimethyl-N-1-piperidinyl-3-(2-thienyl)-D-alaninamide

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID8730823

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-3-(2-naphthalenyl)-D-alanyl-N,N2-dimethyl-N-1-piperidinyl-3-(2-thienyl)- [ACD/Index Name]
N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(2-naphthyl)-D-alanyl-N,N2-dimethyl-N-1-piperidinyl-3-(2-thienyl)-D-alaninamid [German] [ACD/IUPAC Name]
N-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(2-naphthyl)-D-alanyl-N,N2-dimethyl-N-1-piperidinyl-3-(2-thienyl)-D-alaninamide [ACD/IUPAC Name]
N-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-(2-naphtyl)-D-alanyl-N,N2-diméthyl-N-1-pipéridinyl-3-(2-thiényl)-D-alaninamide [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: 728.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20260.05
ACD/KOC (pH 5.5): 41874.69
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20640.86
ACD/KOC (pH 7.4): 42661.76
Polar Surface Area: 102 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 486.3±5.0 cm3

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