ChemSpider 2D Image | Methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydro-3-quinolinyl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate | C27H30N6O4S

Methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydro-3-quinolinyl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate

  • Molecular FormulaC27H30N6O4S
  • Average mass534.630 Da
  • Monoisotopic mass534.204895 Da
  • ChemSpider ID13085343

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[(3S)-1,2,3,4-tetrahydro-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-3-quinolinyl]-, methyl ester [ACD/Index Name]
Methyl N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydro-3-quinolinyl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinate [ACD/IUPAC Name]
Methyl N-{(3s)-1-[(1-Methyl-1h-Imidazol-5-Yl)methyl]-6-Phenyl-1,2,3,4-Tetrahydroquinolin-3-Yl}-N-[(1-Methyl-1h-Imidazol-4-Yl)sulfonyl]glycinate
Methyl-N-{(3S)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydro-3-chinolinyl}-N-[(1-methyl-1H-imidazol-4-yl)sulfonyl]glycinat [German] [ACD/IUPAC Name]
N-{(3S)-1-[(1-Méthyl-1H-imidazol-5-yl)méthyl]-6-phényl-1,2,3,4-tétrahydro-3-quinoléinyl}-N-[(1-méthyl-1H-imidazol-4-yl)sulfonyl]glycinate de méthyle [French] [ACD/IUPAC Name]
S48

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

Density: 1.3±0.1 g/cm3
Boiling Point: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.664
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 79.18
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 79.72
ACD/KOC (pH 7.4): 772.06
Polar Surface Area: 111 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 398.1±7.0 cm3

Click to predict properties on the Chemicalize site


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