ChemSpider 2D Image | (4S)-1-Phenyl-7-(3-pyridinyl)-4-heptanyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate | C35H42F2N2O6

(4S)-1-Phenyl-7-(3-pyridinyl)-4-heptanyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate

  • Molecular FormulaC35H42F2N2O6
  • Average mass624.715 Da
  • Monoisotopic mass624.301086 Da
  • ChemSpider ID393779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-1-(3-Phenylpropyl)-4-(3-pyridinyl)butyl (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate
(2S)-1-[2,2-Difluoro-2-(3,4,5-triméthoxyphényl)acétyl]-2-pipéridinecarboxylate de (4S)-1-phényl-7-(3-pyridinyl)-4-heptanyle [French] [ACD/IUPAC Name]
(4S)-1-Phenyl-7-(3-pyridinyl)-4-heptanyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
(4S)-1-Phenyl-7-(3-pyridinyl)-4-heptanyl-(2S)-1-[difluor(3,4,5-trimethoxyphenyl)acetyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
251909-04-3 [RN]
2-Piperidinecarboxylic acid, 1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]-, (1S)-4-phenyl-1-[3-(3-pyridinyl)propyl]butyl ester, (2S)- [ACD/Index Name]
(1S)-4-phenyl-1-(3-pyridin-3-ylpropyl)butyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
(4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
(4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
(S)-4-phenyl-1-[3-(3-pyridyl)propyl]butyl N-[difluoro(3,4,5-trimethoxy)acetyl]-L-pipecolate
More...

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

fkb-001 [DBID]
001 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 166.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 22945.59
ACD/KOC (pH 5.5): 37836.83
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45141.43
ACD/KOC (pH 7.4): 74437.34
Polar Surface Area: 87 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 524.9±3.0 cm3

Click to predict properties on the Chemicalize site


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