ChemSpider 2D Image | (2R,3R)-N-(1-Hydroxy-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-2-morpholinecarboxamide | C18H21BN4O5

(2R,3R)-N-(1-Hydroxy-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-2-morpholinecarboxamide

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID72976185

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-N-(1-Hydroxy-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-2-morpholincarboxamid [German] [ACD/IUPAC Name]
(2R,3R)-N-(1-Hydroxy-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-2-morpholinecarboxamide [ACD/IUPAC Name]
(2R,3R)-N-(1-Hydroxy-3,4-dihydro-1H-2,1-benzoxaborinin-7-yl)-4-méthyl-3-(1-méthyl-1H-pyrazol-4-yl)-5-oxo-2-morpholinecarboxamide [French] [ACD/IUPAC Name]
2-Morpholinecarboxamide, N-(3,4-dihydro-1-hydroxy-1H-2,1-benzoxaborin-7-yl)-4-methyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-, (2R,3R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 9
#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: 106 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 267.2±7.0 cm3

Click to predict properties on the Chemicalize site


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