ChemSpider 2D Image | Methyl 4-[(2E,4R)-1-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-5-{[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-5-oxo-2-penten-1-yl]benzoate | C33H35N5O5

Methyl 4-[(2E,4R)-1-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-5-{[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-5-oxo-2-penten-1-yl]benzoate

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID4573331

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-[(2E,4R)-1-{[(Benzyloxy)carbonyl]amino}-2,4-diméthyl-5-{[(5-méthyl-2-phényl-2H-1,2,3-triazol-4-yl)méthyl]amino}-5-oxo-2-pentén-1-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2E,4R)-2,4-dimethyl-5-[[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino]-5-oxo-1-[[(phenylmethoxy)carbonyl]amino]-2-penten-1-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[(2E,4R)-1-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-5-{[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-5-oxo-2-penten-1-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[(2E,4R)-1-{[(benzyloxy)carbonyl]amino}-2,4-dimethyl-5-{[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amino}-5-oxo-2-penten-1-yl]benzoat [German] [ACD/IUPAC Name]

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

NCGC00092080-01 [DBID]
SDCCGMLS-0091257.P001 [DBID]
UPCMLD05ADMT002123 [DBID]

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: 1.605
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7961.24
ACD/KOC (pH 5.5): 21572.97
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7959.98
ACD/KOC (pH 7.4): 21569.56
Polar Surface Area: 124 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 479.7±7.0 cm3

Click to predict properties on the Chemicalize site


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