ChemSpider 2D Image | 4-Amino-N-[(2S)-1-(4'-cyano-4-biphenylyl)-3-imino-2-propanyl]tetrahydro-2H-pyran-4-carboxamide | C22H24N4O2

4-Amino-N-[(2S)-1-(4'-cyano-4-biphenylyl)-3-imino-2-propanyl]tetrahydro-2H-pyran-4-carboxamide

  • Molecular FormulaC22H24N4O2
  • Average mass376.452 Da
  • Monoisotopic mass376.189911 Da
  • ChemSpider ID35034454

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Pyran-4-carboxamide, 4-amino-N-[(1S)-2-(4'-cyano[1,1'-biphenyl]-4-yl)-1-(iminomethyl)ethyl]tetrahydro- [ACD/Index Name]
4-Amino-N-[(2S)-1-(4'-cyan-4-biphenylyl)-3-imino-2-propanyl]tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
4-Amino-N-[(2S)-1-(4'-cyano-4-biphenylyl)-3-imino-2-propanyl]tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
4-Amino-N-[(2S)-1-(4'-cyano-4-biphénylyl)-3-imino-2-propanyl]tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.34
Polar Surface Area: 112 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 305.2±7.0 cm3

Click to predict properties on the Chemicalize site


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