Found 1 result

Search term: CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-Acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | C23H32ClN3O3

N-Acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide

  • Molecular FormulaC23H32ClN3O3
  • Average mass433.971 Da
  • Monoisotopic mass433.213226 Da
  • ChemSpider ID25057852

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Prolinamide, N-acetyl-3-cyclohexyl-D-alanyl-N-[(3-chlorophenyl)methyl]- [ACD/Index Name]
N-Acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
91U

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.3±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: 388.8±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 418.26
ACD/KOC (pH 5.5): 2618.41
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 418.26
ACD/KOC (pH 7.4): 2618.41
Polar Surface Area: 79 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 362.1±3.0 cm3

Click to predict properties on the Chemicalize site


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