ChemSpider 2D Image | N-{2,2,2-Trichloro-1-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]ethyl}-1-naphthamide | C24H22Cl3N3O2

N-{2,2,2-Trichloro-1-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-1-naphthamide

  • Molecular FormulaC24H22Cl3N3O2
  • Average mass490.809 Da
  • Monoisotopic mass489.077759 Da
  • ChemSpider ID58540184

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Naphthalenecarboxamide, N-[2,2,2-trichloro-1-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]- [ACD/Index Name]
N-{2,2,2-Trichlor-1-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-1-naphthamid [German] [ACD/IUPAC Name]
N-{2,2,2-Trichloro-1-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]éthyl}-1-naphtamide [French] [ACD/IUPAC Name]
N-{2,2,2-Trichloro-1-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}-1-naphthamide [ACD/IUPAC 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: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1239.39
ACD/KOC (pH 5.5): 5657.06
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1270.77
ACD/KOC (pH 7.4): 5800.29
Polar Surface Area: 53 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 332.6±5.0 cm3

Click to predict properties on the Chemicalize site


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