ChemSpider 2D Image | N-{3-[(6S)-6-Benzyl-3-isobutyl-3-methyl-2-oxo-1-piperazinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide | C32H47N3O5S

N-{3-[(6S)-6-Benzyl-3-isobutyl-3-methyl-2-oxo-1-piperazinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID414829

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-(cyclopentylmethyl)-N-[2-hydroxy-3-[(6S)-3-methyl-3-(2-methylpropyl)-2-oxo-6-(phenylmethyl)-1-piperazinyl]propyl]-4-methoxy- [ACD/Index Name]
N-{3-[(6S)-6-Benzyl-3-isobutyl-3-methyl-2-oxo-1-piperazinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-{3-[(6S)-6-Benzyl-3-isobutyl-3-méthyl-2-oxo-1-pipérazinyl]-2-hydroxypropyl}-N-(cyclopentylméthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-{3-[(6S)-6-Benzyl-3-isobutyl-3-methyl-2-oxo-1-piperazinyl]-2-hydroxypropyl}-N-(cyclopentylmethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
(6S)-1-(3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-3-methyl-3-(2-methylpropyl)-6-benzylpiperazin-2-one

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

AIDS072647 [DBID]
AIDS-072647 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.557
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 317.79
ACD/KOC (pH 5.5): 766.93
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8112.48
ACD/KOC (pH 7.4): 19578.31
Polar Surface Area: 108 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 508.4±3.0 cm3

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