ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(4-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}benzyl)-1-piperazinecarboxylate | C34H49N5O5S

2-Methyl-2-propanyl 4-(4-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}benzyl)-1-piperazinecarboxylate

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID99877277

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[(Z)-[2-[[1-[(2,3,4,5,6-pentamethylphenyl)sulfonyl]-4-piperidinyl]carbonyl]hydrazinylidene]methyl]phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}benzyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}benzyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-{(Z)-[({1-[(Pentaméthylphényl)sulfonyl]-4-pipéridinyl}carbonyl)hydrazono]méthyl}benzyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 178.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 7212.55
ACD/KOC (pH 5.5): 16272.79
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14959.44
ACD/KOC (pH 7.4): 33751.13
Polar Surface Area: 120 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 526.2±7.0 cm3

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