ChemSpider 2D Image | N-[5-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3-(4-morpholinyl)propanamide | C36H44N6O5

N-[5-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3-(4-morpholinyl)propanamide

  • Molecular FormulaC36H44N6O5
  • Average mass640.772 Da
  • Monoisotopic mass640.337341 Da
  • ChemSpider ID22474752

More details:

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

4-Morpholinepropanamide, N-[5-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]- [ACD/Index Name]
N-[5-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3-(4-morpholinyl)propanamid [German] [ACD/IUPAC Name]
N-[5-{[4-(2-Methoxyphenyl)-1-piperazinyl]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3-(4-morpholinyl)propanamide [ACD/IUPAC Name]
N-[5-{[4-(2-Méthoxyphényl)-1-pipérazinyl]carbonyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl]-3-(4-morpholinyl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 930.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 516.6±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.40
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 101.70
Polar Surface Area: 98 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 472.6±5.0 cm3

Click to predict properties on the Chemicalize site


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