ChemSpider 2D Image | (4-{5-[(1-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid | C18H21BN4O5

(4-{5-[(1-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID72942977

More details:

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

(4-{5-[(1-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{5-[(1-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{5-[(1-méthyl-2,4-dioxo-1,3-diazaspiro[4.5]déc-3-yl)méthyl]-1,2,4-oxadiazol-3-yl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[5-[(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]- [ACD/Index 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: 601.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.6±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.44
ACD/KOC (pH 5.5): 311.86
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 15.87
ACD/KOC (pH 7.4): 230.87
Polar Surface Area: 120 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 266.8±5.0 cm3

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