ChemSpider 2D Image | N-[(1R)-6-{[(2-Methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]-2-[(2S)-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-2-piperidinyl]acetamide | C32H47N3O3S

N-[(1R)-6-{[(2-Methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]-2-[(2S)-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-2-piperidinyl]acetamide

  • Molecular FormulaC32H47N3O3S
  • Average mass553.799 Da
  • Monoisotopic mass553.333801 Da
  • ChemSpider ID9378761

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Piperidineacetamide, N-[(1R)-6-[[(1,1-dimethylethyl)amino]methyl]-1,2,3,4-tetrahydro-1-naphthalenyl]-1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (2S)- [ACD/Index Name]
N-[(1R)-6-{[(2-Méthyl-2-propanyl)amino]méthyl}-1,2,3,4-tétrahydro-1-naphtalényl]-2-[(2S)-1-{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}-2-pipéridinyl]acétamide [French] [ACD/IUPAC Name]
N-[(1R)-6-{[(2-Methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]-2-[(2S)-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-2-piperidinyl]acetamide [ACD/IUPAC Name]
N-[(1R)-6-{[(2-Methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalinyl]-2-[(2S)-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-2-piperidinyl]acetamid [German] [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: 1.589
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 46.60
ACD/KOC (pH 5.5): 72.39
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 187.50
ACD/KOC (pH 7.4): 291.24
Polar Surface Area: 87 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 475.1±5.0 cm3

Click to predict properties on the Chemicalize site


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