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Search term: FXNYDEZGSYNFJK-MZLICYQSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Nalpha-{[trans-4-Ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonyl}-N-2-pyridinyl-L-phenylalaninamide | C24H31N3O3S

Nα-{[trans-4-Ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonyl}-N-2-pyridinyl-L-phenylalaninamide

  • Molecular FormulaC24H31N3O3S
  • Average mass441.586 Da
  • Monoisotopic mass441.208618 Da
  • ChemSpider ID23153823

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenepropanamide, α-[[[trans-4-ethoxy-1-(mercaptomethyl)cyclohexyl]carbonyl]amino]-N-2-pyridinyl-, (αS)- [ACD/Index Name]
Nα-{[trans-4-Ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonyl}-N-2-pyridinyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[trans-4-Ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonyl}-N-2-pyridinyl-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[trans-4-Éthoxy-1-(sulfanylméthyl)cyclohexyl]carbonyl}-N-2-pyridinyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{[trans-4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonyl}-N-pyridin-2-yl-L-phenylalaninamide
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-phenyl-1-(pyridin-2-ylcarbamoyl)-ethyl]-amide
CHEMBL417210
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417210/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.86
ACD/KOC (pH 5.5): 2210.68
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.09
ACD/KOC (pH 7.4): 2218.88
Polar Surface Area: 119 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

Click to predict properties on the Chemicalize site


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