ChemSpider 2D Image | SAFit2 | C46H62N2O10

SAFit2

  • Molecular FormulaC46H62N2O10
  • Average mass802.992 Da
  • Monoisotopic mass802.440430 Da
  • ChemSpider ID32779480

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl-(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
(2S)-1-[(2S)-2-Cyclohexyl-2-(3,4,5-triméthoxyphényl)acétyl]-2-pipéridinecarboxylate de (1R)-3-(3,4-diméthoxyphényl)-1-{3-[2-(4-morpholinyl)éthoxy]phényl}propyle [French] [ACD/IUPAC Name]
1643125-33-0 [RN]
2-Piperidinecarboxylic acid, 1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-, (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-(4-morpholinyl)ethoxy]phenyl]propyl ester, (2S)- [ACD/Index Name]
SAFit2
(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylic acid, (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-(4-morpholinyl)ethoxy]phenyl]propyl ester
[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
FKBP5
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 877.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 221.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 2585.38
ACD/KOC (pH 5.5): 5080.03
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22258.16
ACD/KOC (pH 7.4): 43735.29
Polar Surface Area: 114 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 687.1±3.0 cm3

Click to predict properties on the Chemicalize site


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