ChemSpider 2D Image | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE | C30H34N3O7P

N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE

  • Molecular FormulaC30H34N3O7P
  • Average mass579.581 Da
  • Monoisotopic mass579.213440 Da
  • ChemSpider ID394581

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenepropanamide, α-(acetylamino)-N-[(3S)-1-([1,1'-biphenyl]-4-ylmethyl)hexahydro-2-oxo-1H-azepin-3-yl]-4-(phosphonooxy)-, (αS)- [ACD/Index Name]
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-O-phosphono-L-tyrosinamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-O-phosphono-L-tyrosinamide [ACD/IUPAC Name]
Nα-Acétyl-N-[(3S)-1-(4-biphénylylméthyl)-2-oxo-3-azépanyl]-O-phosphono-L-tyrosinamide [French] [ACD/IUPAC Name]
6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
6NP
RU81843

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

843 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 152.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

Click to predict properties on the Chemicalize site


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