ChemSpider 2D Image | (4-{[(1-Methyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)methyl]carbamoyl}phenyl)boronic acid | C21H28BN3O5

(4-{[(1-Methyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)methyl]carbamoyl}phenyl)boronic acid

  • Molecular FormulaC21H28BN3O5
  • Average mass413.275 Da
  • Monoisotopic mass413.212189 Da
  • ChemSpider ID122364166

More details:

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

(4-{[(1-Methyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)methyl]carbamoyl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{[(1-Methyl-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl)methyl]carbamoyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{[(1-méthyl-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tétrahydropyrrolo[1,2-a]pyrazin-6-yl)méthyl]carbamoyl}phényl)boronique [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxylic acid, 6-[[(4-boronobenzoyl)amino]methyl]-3,4-dihydro-1-methyl-, 1,1-dimethylethyl ester [ACD/Index 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: 1.587
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.81
ACD/KOC (pH 5.5): 869.92
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 74.57
ACD/KOC (pH 7.4): 722.31
Polar Surface Area: 104 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement