ChemSpider 2D Image | 6-Ethoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one | C30H31N5O6

6-Ethoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

  • Molecular FormulaC30H31N5O6
  • Average mass557.597 Da
  • Monoisotopic mass557.227417 Da
  • ChemSpider ID22464202

More details:

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

2,6-Methano-4H-1,3,5-benzoxadiazocin-4-one, 10-ethoxy-2,3,5,6-tetrahydro-2-methyl-3-[3-[[4-(4-nitrophenyl)-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]
6-Ethoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-on [German] [ACD/IUPAC Name]
6-Ethoxy-9-methyl-10-(3-{[4-(4-nitrophenyl)-1-piperazinyl]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one [ACD/IUPAC Name]
6-Éthoxy-9-méthyl-10-(3-{[4-(4-nitrophényl)-1-pipérazinyl]carbonyl}phényl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-11-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 184.43
ACD/KOC (pH 5.5): 1457.07
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 184.44
ACD/KOC (pH 7.4): 1457.16
Polar Surface Area: 120 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 416.8±3.0 cm3

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