ChemSpider 2D Image | (2S)-N-Benzyl-2-{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}-N-[3-(4-methyl-1-piperazinyl)propyl]-2-phenylacetamide | C33H44N4O4S

(2S)-N-Benzyl-2-{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}-N-[3-(4-methyl-1-piperazinyl)propyl]-2-phenylacetamide

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID26345677

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-Benzyl-2-{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}-N-[3-(4-methyl-1-piperazinyl)propyl]-2-phenylacetamid [German] [ACD/IUPAC Name]
(2S)-N-Benzyl-2-{[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino}-N-[3-(4-methyl-1-piperazinyl)propyl]-2-phenylacetamide [ACD/IUPAC Name]
(2S)-N-Benzyl-2-{[(4-méthoxy-2,3,6-triméthylphényl)sulfonyl]amino}-N-[3-(4-méthyl-1-pipérazinyl)propyl]-2-phénylacétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-N-[3-(4-methyl-1-piperazinyl)propyl]-N-(phenylmethyl)-, (αS)- [ACD/Index 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: 742.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 169.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 41.02
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 505.78
ACD/KOC (pH 7.4): 2068.78
Polar Surface Area: 91 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 506.5±3.0 cm3

Click to predict properties on the Chemicalize site


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