ChemSpider 2D Image | 2-{(2R)-1-[(4-Methylphenyl)sulfonyl]-3-oxo-2-piperazinyl}-N-{(1R)-6-[(4-methyl-1-piperazinyl)methyl]-1,2,3,4-tetrahydro-1-naphthalenyl}acetamide | C29H39N5O4S

2-{(2R)-1-[(4-Methylphenyl)sulfonyl]-3-oxo-2-piperazinyl}-N-{(1R)-6-[(4-methyl-1-piperazinyl)methyl]-1,2,3,4-tetrahydro-1-naphthalenyl}acetamide

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID9459298

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(2R)-1-[(4-Méthylphényl)sulfonyl]-3-oxo-2-pipérazinyl}-N-{(1R)-6-[(4-méthyl-1-pipérazinyl)méthyl]-1,2,3,4-tétrahydro-1-naphtalényl}acétamide [French] [ACD/IUPAC Name]
2-{(2R)-1-[(4-Methylphenyl)sulfonyl]-3-oxo-2-piperazinyl}-N-{(1R)-6-[(4-methyl-1-piperazinyl)methyl]-1,2,3,4-tetrahydro-1-naphthalenyl}acetamide [ACD/IUPAC Name]
2-{(2R)-1-[(4-Methylphenyl)sulfonyl]-3-oxo-2-piperazinyl}-N-{(1R)-6-[(4-methyl-1-piperazinyl)methyl]-1,2,3,4-tetrahydro-1-naphthalinyl}acetamid [German] [ACD/IUPAC Name]
2-Piperazineacetamide, 1-[(4-methylphenyl)sulfonyl]-3-oxo-N-[(1R)-1,2,3,4-tetrahydro-6-[(4-methyl-1-piperazinyl)methyl]-1-naphthalenyl]-, (2R)- [ACD/Index Name]

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: 1.650
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 8.20
ACD/KOC (pH 7.4): 113.96
Polar Surface Area: 110 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

Click to predict properties on the Chemicalize site


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