ChemSpider 2D Image | 2-({2-[(Cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)-N-(1-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-oxo-2-pentanyl)benzamide | C32H45N5O3S

2-({2-[(Cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)-N-(1-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-oxo-2-pentanyl)benzamide

  • Molecular FormulaC32H45N5O3S
  • Average mass579.796 Da
  • Monoisotopic mass579.324280 Da
  • ChemSpider ID120713489

More details:

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

2-({2-[(Cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)-N-(1-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-oxo-2-pentanyl)benzamid [German] [ACD/IUPAC Name]
2-({2-[(Cyclohexylmethyl)amino]-2-oxoethyl}sulfanyl)-N-(1-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-1-oxo-2-pentanyl)benzamide [ACD/IUPAC Name]
2-({2-[(Cyclohexylméthyl)amino]-2-oxoéthyl}sulfanyl)-N-(1-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-1-oxo-2-pentanyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[2-[(cyclohexylmethyl)amino]-2-oxoethyl]thio]-N-[1-[[[4-(4-methyl-1-piperazinyl)phenyl]amino]carbonyl]butyl]- [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: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 167.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 25.06
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 205.84
ACD/KOC (pH 7.4): 1163.36
Polar Surface Area: 119 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 476.8±5.0 cm3

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