ChemSpider 2D Image | N-(1-Hydroxy-3,3-dimethyl-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide | C19H25BN4O4

N-(1-Hydroxy-3,3-dimethyl-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide

  • Molecular FormulaC19H25BN4O4
  • Average mass384.237 Da
  • Monoisotopic mass384.196899 Da
  • ChemSpider ID72874003

More details:

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

3H-1,2,4-Triazolo[4,3-a]azepine-2(5H)-acetamide, N-(3,4-dihydro-1-hydroxy-3,3-dimethyl-1H-2,1-benzoxaborin-7-yl)-6,7,8,9-tetrahydro-3-oxo- [ACD/Index Name]
N-(1-Hydroxy-3,3-dimethyl-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamid [German] [ACD/IUPAC Name]
N-(1-Hydroxy-3,3-dimethyl-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide [ACD/IUPAC Name]
N-(1-Hydroxy-3,3-diméthyl-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-2-(3-oxo-6,7,8,9-tétrahydro-3H-[1,2,4]triazolo[4,3-a]azépin-2(5H)-yl)acétamide [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: 1.650
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 94 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 282.2±7.0 cm3

Click to predict properties on the Chemicalize site


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