ChemSpider 2D Image | (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-H][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile | C23H18FN7O2

(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-H][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile

  • Molecular FormulaC23H18FN7O2
  • Average mass443.433 Da
  • Monoisotopic mass443.150604 Da
  • ChemSpider ID34219737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(20R)-23-Amino-17-fluor-12,20-dimethyl-13-oxo-21-oxa-3,9,12,24,26-pentaazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(26),2(10),4,6,8,14,16,18,22,24-decaen-5-carbonitril [German] [ACD/IUPAC Name]
(20R)-23-Amino-17-fluoro-12,20-dimethyl-13-oxo-21-oxa-3,9,12,24,26-pentaazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(26),2(10),4,6,8,14,16,18,22,24-decaene-5-carbonitrile [ACD/IUPAC Name]
(20R)-23-Amino-17-fluoro-12,20-diméthyl-13-oxo-21-oxa-3,9,12,24,26-pentaazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(26),2(10),4,6,8,14,16,18,22,24-décaène-5-carbonitrile [French] [ACD/IUPAC Name]
(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-H][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
11,7-Nitrilo-7H-pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile, 8-amino-3-fluoro-5,18,19,20-tetrahydro-5,19-dimethyl-20-oxo-, (5R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.739
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.51
ACD/KOC (pH 5.5): 302.00
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.64
ACD/KOC (pH 7.4): 303.86
Polar Surface Area: 122 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

Click to predict properties on the Chemicalize site


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