ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(3-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}phenyl)-1-piperazinecarboxylate | C33H47N5O5S

2-Methyl-2-propanyl 4-(3-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}phenyl)-1-piperazinecarboxylate

  • Molecular FormulaC33H47N5O5S
  • Average mass625.822 Da
  • Monoisotopic mass625.329773 Da
  • ChemSpider ID99874900

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[(Z)-[2-[[1-[(2,3,4,5,6-pentamethylphenyl)sulfonyl]-4-piperidinyl]carbonyl]hydrazinylidene]methyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}phenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-{(Z)-[({1-[(pentamethylphenyl)sulfonyl]-4-piperidinyl}carbonyl)hydrazono]methyl}phenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-{(Z)-[({1-[(Pentaméthylphényl)sulfonyl]-4-pipéridinyl}carbonyl)hydrazono]méthyl}phényl)-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: 1.599
Molar Refractivity: 174.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13046.18
ACD/KOC (pH 5.5): 30718.17
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13052.02
ACD/KOC (pH 7.4): 30731.93
Polar Surface Area: 120 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 510.2±7.0 cm3

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