ChemSpider 2D Image | N-{5-[(4-Methoxybenzyl)carbamoyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl}-2-thiophenecarboxamide | C31H30N4O4S

N-{5-[(4-Methoxybenzyl)carbamoyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-2-thiophenecarboxamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID2591357

More details:

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

2-Thiophenecarboxamide, N-[5-[[[(4-methoxyphenyl)methyl]amino]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-Methoxybenzyl)carbamoyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{5-[(4-Methoxybenzyl)carbamoyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{5-[(4-Méthoxybenzyl)carbamoyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[5-{[(4-methoxybenzyl)amino]carbonyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]thiophene-2-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.40
ACD/KOC (pH 5.5): 773.54
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.04
ACD/KOC (pH 7.4): 779.99
Polar Surface Area: 119 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

Click to predict properties on the Chemicalize site


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