ChemSpider 2D Image | N-(2-Aminoethyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoyl-4-biphenylyl)ethyl]-L-leucinamide | C22H29F3N4O3S

N-(2-Aminoethyl)-N2-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoyl-4-biphenylyl)ethyl]-L-leucinamide

  • Molecular FormulaC22H29F3N4O3S
  • Average mass486.551 Da
  • Monoisotopic mass486.191254 Da
  • ChemSpider ID26328252

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-(2-Aminoethyl)-N2-[(1S)-2,2,2-trifluor-1-(4'-sulfamoyl-4-biphenylyl)ethyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N2-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoyl-4-biphenylyl)ethyl]-L-leucinamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-N2-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoyl-4-biphénylyl)éthyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-(2-AMINOETHYL)-N2-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
Pentanamide, N-(2-aminoethyl)-2-[[(1S)-1-[4'-(aminosulfonyl)[1,1'-biphenyl]-4-yl]-2,2,2-trifluoroethyl]amino]-4-methyl-, (2S)- [ACD/Index Name]
(2S)-N-(2-aminoethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-sulfamoylphenyl)phenyl]ethyl]amino}pentanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 27.43
Polar Surface Area: 136 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 384.9±3.0 cm3

Click to predict properties on the Chemicalize site


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