ChemSpider 2D Image | (10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One | C21H22FN5O2

(10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One

  • Molecular FormulaC21H22FN5O2
  • Average mass395.430 Da
  • Monoisotopic mass395.175751 Da
  • ChemSpider ID34219726
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One
(16R)-19-Amino-13-fluor-3,5,8,16-tetramethyl-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10,12,14,18,20-octaen-9-on [German] [ACD/IUPAC Name]
(16R)-19-Amino-13-fluoro-3,5,8,16-tetramethyl-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10,12,14,18,20-octaen-9-one [ACD/IUPAC Name]
(16R)-19-Amino-13-fluoro-3,5,8,16-tétraméthyl-17-oxa-4,5,8,20-tétraazatétracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10,12,14,18,20-octaén-9-one [French] [ACD/IUPAC Name]
1H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, 7-amino-12-fluoro-16,17-dihydro-1,3,10,16-tetramethyl-, (10R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.50
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 20.78
ACD/KOC (pH 7.4): 273.08
Polar Surface Area: 86 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 287.4±7.0 cm3

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