ChemSpider 2D Image | N-(4-{[(4-Cyclohexylphenyl){[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino]methyl}benzoyl)-beta-alanine | C35H39N5O5

N-(4-{[(4-Cyclohexylphenyl){[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino]methyl}benzoyl)-β-alanine

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID8297179

More details:






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

N-(4-{[(4-Cyclohexylphenyl){[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino]methyl}benzoyl)-β-alanin [German] [ACD/IUPAC Name]
N-(4-{[(4-Cyclohexylphenyl){[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}amino]methyl}benzoyl)-β-alanine [ACD/IUPAC Name]
N-(4-{[(4-Cyclohexylphényl){[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)phényl]carbamoyl}amino]méthyl}benzoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-[[(4-cyclohexylphenyl)[[[3-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]phenyl]amino]carbonyl]amino]methyl]benzoyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 340.61
ACD/KOC (pH 5.5): 942.12
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 16.02
Polar Surface Area: 138 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 482.9±3.0 cm3

Click to predict properties on the Chemicalize site






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