ChemSpider 2D Image | 2-Cyclopentyl-N-{4-(methylsulfanyl)-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-butanyl}propanamide | C27H43N3O5S

2-Cyclopentyl-N-{4-(methylsulfanyl)-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-butanyl}propanamide

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID121771089

More details:

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

2-Cyclopentyl-N-{4-(methylsulfanyl)-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-butanyl}propanamid [German] [ACD/IUPAC Name]
2-Cyclopentyl-N-{4-(methylsulfanyl)-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-butanyl}propanamide [ACD/IUPAC Name]
2-Cyclopentyl-N-{4-(méthylsulfanyl)-1-oxo-1-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-2-butanyl}propanamide [French] [ACD/IUPAC Name]
Cyclopentaneacetamide, α-methyl-N-[3-(methylthio)-1-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]carbonyl]propyl]- [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: 693.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.3±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 132.63
ACD/KOC (pH 5.5): 1064.00
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.09
ACD/KOC (pH 7.4): 1396.54
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 452.2±3.0 cm3

Click to predict properties on the Chemicalize site


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