ChemSpider 2D Image | (1Z,3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0~4,9~.0~18,22~]docosa-1,4,6,8,15,19,21-heptaen-14-one | C18H18FN5O2

(1Z,3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1,4,6,8,15,19,21-heptaen-14-one

  • Molecular FormulaC18H18FN5O2
  • Average mass355.366 Da
  • Monoisotopic mass355.144440 Da
  • ChemSpider ID114550822
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1Z,3R,11S)-6-Fluor-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1,4,6,8,15,19,21-heptaen-14-on [German] [ACD/IUPAC Name]
(1Z,3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1,4,6,8,15,19,21-heptaen-14-one [ACD/IUPAC Name]
(1Z,3R,11S)-6-Fluoro-3,11-diméthyl-10-oxa-2,13,17,18,21-pentaazatétracyclo[13.5.2.04,9.018,22]docosa-1,4,6,8,15,19,21-heptaén-14-one [French] [ACD/IUPAC Name]
1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-2,6,7,13-tetrahydro-7,13-dimethyl-, (7S,13R,14Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 78 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 242.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement