ChemSpider 2D Image | 2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate | C22H22ClN3O5

2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate

  • Molecular FormulaC22H22ClN3O5
  • Average mass443.880 Da
  • Monoisotopic mass443.124786 Da
  • ChemSpider ID30854949

More details:

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

1144035-22-2 [RN]
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (2-chlorophenyl)methyl ester [ACD/Index Name]
2-Chlorbenzyl-4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
2-Chlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate
2-Chlorobenzyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
4-[3-Oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]-1-pipérazinecarboxylate de 2-chlorobenzyle [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: 1.611
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 20.72
ACD/KOC (pH 5.5): 174.62
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 130.38
ACD/KOC (pH 7.4): 1098.85
Polar Surface Area: 88 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

Click to predict properties on the Chemicalize site


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