ChemSpider 2D Image | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE | C31H34F2N3O6P

N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE

  • Molecular FormulaC31H34F2N3O6P
  • Average mass613.589 Da
  • Monoisotopic mass613.215332 Da
  • ChemSpider ID394586

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-4-[difluor(phosphono)methyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-4-[difluoro(phosphono)methyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-Acétyl-N-[(3S)-1-(4-biphénylylméthyl)-2-oxo-3-azépanyl]-4-[difluoro(phosphono)méthyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
Phosphonic acid, [[4-[(2S)-2-(acetylamino)-3-[[(3S)-1-([1,1'-biphenyl]-4-ylmethyl)hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxopropyl]phenyl]difluoromethyl]- [ACD/Index Name]
6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
6NP
RU82209

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

822 [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: 1.620
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 443.8±5.0 cm3

Click to predict properties on the Chemicalize site


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