ChemSpider 2D Image | N-Isobutyl-2-{4-[(2-methyl-5-nitrophenyl)sulfonyl]-1-piperazinyl}propanamide | C18H28N4O5S

N-Isobutyl-2-{4-[(2-methyl-5-nitrophenyl)sulfonyl]-1-piperazinyl}propanamide

  • Molecular FormulaC18H28N4O5S
  • Average mass412.504 Da
  • Monoisotopic mass412.178040 Da
  • ChemSpider ID22563183

More details:

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

1-Piperazineacetamide, α-methyl-4-[(2-methyl-5-nitrophenyl)sulfonyl]-N-(2-methylpropyl)- [ACD/Index Name]
N-Isobutyl-2-{4-[(2-methyl-5-nitrophenyl)sulfonyl]-1-piperazinyl}propanamid [German] [ACD/IUPAC Name]
N-Isobutyl-2-{4-[(2-methyl-5-nitrophenyl)sulfonyl]-1-piperazinyl}propanamide [ACD/IUPAC Name]
N-Isobutyl-2-{4-[(2-méthyl-5-nitrophényl)sulfonyl]-1-pipérazinyl}propanamide [French] [ACD/IUPAC Name]
2-[4-(2-METHYL-5-NITROBENZENESULFONYL)PIPERAZIN-1-YL]-N-(2-METHYLPROPYL)PROPANAMIDE

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: 1.563
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.11
ACD/KOC (pH 5.5): 696.59
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.97
ACD/KOC (pH 7.4): 705.60
Polar Surface Area: 124 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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