ChemSpider 2D Image | 3-{[(3-Methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N-(tetrahydro-2-furanylmethyl)benzamide | C31H35N5O5

3-{[(3-Methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(tetrahydro-2-furanylmethyl)benzamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID22473537

More details:

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

3-{[(3-Methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(tetrahydro-2-furanylmethyl)benzamid [German] [ACD/IUPAC Name]
3-{[(3-Methoxyphenyl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(tetrahydro-2-furanylmethyl)benzamide [ACD/IUPAC Name]
3-{[(3-Méthoxyphényl)carbamoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-N-(tétrahydro-2-furanylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[[(3-methoxyphenyl)amino]carbonyl]amino]-N-[(tetrahydro-2-furanyl)methyl]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)- [ACD/Index 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: 741.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.24
ACD/KOC (pH 5.5): 480.16
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.58
ACD/KOC (pH 7.4): 484.23
Polar Surface Area: 112 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 408.0±5.0 cm3

Click to predict properties on the Chemicalize site


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