Found 63 results

Search term: MF = 'C_{22}H_{27}N_{9}O_{5}'
ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate | C22H27N9O5

2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate

  • Molecular FormulaC22H27N9O5
  • Average mass497.507 Da
  • Monoisotopic mass497.213501 Da
  • ChemSpider ID101350407

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[2-cyano-4-[(Z)-[2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-oxopropyl]hydrazinylidene]methyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{2-cyan-4-[(Z)-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazono}methyl]phenyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-Cyano-4-[(Z)-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.47
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.47
Polar Surface Area: 175 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 357.9±7.0 cm3

Click to predict properties on the Chemicalize site


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