ChemSpider 2D Image | 2-Methyl-2-propanyl 5-oxo-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}-5-[4-(propylcarbamothioyl)-1-piperazinyl]pentanoate | C29H39N5O4S

2-Methyl-2-propanyl 5-oxo-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}-5-[4-(propylcarbamothioyl)-1-piperazinyl]pentanoate

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID24649093

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinepentanoic acid, δ-oxo-γ-[[(6-phenyl-2-pyridinyl)carbonyl]amino]-4-[(propylamino)thioxomethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-oxo-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}-5-[4-(propylcarbamothioyl)-1-piperazinyl]pentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-oxo-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}-5-[4-(propylcarbamothioyl)-1-piperazinyl]pentanoat [German] [ACD/IUPAC Name]
5-Oxo-4-{[(6-phényl-2-pyridinyl)carbonyl]amino}-5-[4-(propylcarbamothioyl)-1-pipérazinyl]pentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(propylamino)carbonothioyl]piperazin-1-yl}pentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.39
ACD/KOC (pH 5.5): 1210.77
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.40
ACD/KOC (pH 7.4): 1210.81
Polar Surface Area: 136 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

Click to predict properties on the Chemicalize site


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