ChemSpider 2D Image | (11S)-16-Amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1(21),4,6,8,15(22),16,19-heptaene-5-carbonitrile | C20H20FN7O2

(11S)-16-Amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene-5-carbonitrile

  • Molecular FormulaC20H20FN7O2
  • Average mass409.417 Da
  • Monoisotopic mass409.166260 Da
  • ChemSpider ID72380105

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11S)-16-Amino-2-ethyl-6-fluor-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-5-carbonitril [German] [ACD/IUPAC Name]
(11S)-16-Amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaene-5-carbonitrile [ACD/IUPAC Name]
(11S)-16-Amino-2-éthyl-6-fluoro-11-méthyl-14-oxo-10-oxa-2,13,17,18,21-pentaazatétracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaène-5-carbonitrile [French] [ACD/IUPAC Name]
1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecine-12-carbonitrile, 3-amino-14-ethyl-11-fluoro-4,5,6,7,13,14-hexahydro-7-methyl-4-oxo-, (7S)- [ACD/Index Name]
2271119-26-5 [RN]
(11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile
CSF1R-IN-2
Elzovantinib

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: 1.709
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.96
ACD/KOC (pH 5.5): 217.78
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.96
ACD/KOC (pH 7.4): 217.77
Polar Surface Area: 122 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 274.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement