ChemSpider 2D Image | (1r,9r)-N-(4-Fluorobenzyl)-5-hydroxy-1-{[4-morpholinyl(oxo)acetyl]amino}-6-oxo-3,7-diazatricyclo[7.2.2.0~2,7~]trideca-2,4-diene-4-carboxamide | C25H28FN5O6

(1r,9r)-N-(4-Fluorobenzyl)-5-hydroxy-1-{[4-morpholinyl(oxo)acetyl]amino}-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

  • Molecular FormulaC25H28FN5O6
  • Average mass513.518 Da
  • Monoisotopic mass513.202332 Da
  • ChemSpider ID34541693

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,9r)-N-(4-Fluorbenzyl)-5-hydroxy-1-{[4-morpholinyl(oxo)acetyl]amino}-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-4-carboxamid [German] [ACD/IUPAC Name]
(1r,9r)-N-(4-Fluorobenzyl)-5-hydroxy-1-{[2-(4-morpholinyl)-2-oxoacétyl]amino}-6-oxo-3,7-diazatricyclo[7.2.2.02,7]tridéca-2,4-diène-4-carboxamide [French] [ACD/IUPAC Name]
(1r,9r)-N-(4-Fluorobenzyl)-5-hydroxy-1-{[4-morpholinyl(oxo)acetyl]amino}-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide [ACD/IUPAC Name]
7,10-Ethanopyrimido[1,2-a]azepine-2-carboxamide, N-[(4-fluorophenyl)methyl]-4,6,7,8,9,10-hexahydro-3-hydroxy-10-[[2-(4-morpholinyl)-1,2-dioxoethyl]amino]-4-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 328.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement