ChemSpider 2D Image | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine | C21H27N3O4S

(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine

  • Molecular FormulaC21H27N3O4S
  • Average mass417.522 Da
  • Monoisotopic mass417.172241 Da
  • ChemSpider ID23315644

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
(2R)-2-Methyl-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-(4-nitrophenyl)piperazin [German] [ACD/IUPAC Name]
(2R)-2-Methyl-1-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}-4-(4-nitrophenyl)piperazine [ACD/IUPAC Name]
(2R)-2-Méthyl-1-{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}-4-(4-nitrophényl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-2-methyl-4-(4-nitrophenyl)-, (2R)- [ACD/Index Name]
(2R)-1-(4-tert-butylbenzenesulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine
(2R)-1-[(4-tert-butylbenzene)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine
arylsulfonylpiperazine, 45
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427896/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2741.21
ACD/KOC (pH 5.5): 10057.10
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2741.24
ACD/KOC (pH 7.4): 10057.21
Polar Surface Area: 95 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

Click to predict properties on the Chemicalize site


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