ChemSpider 2D Image | Ethyl 1-{3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl}-4-piperidinecarboxylate | C34H38N4O6

Ethyl 1-{3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl}-4-piperidinecarboxylate

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID5048751

More details:

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

1-{3-[(4-Méthoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)benzoyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[3-[(4-methoxybenzoyl)amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{3-[(4-methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

CDS1_002156 [DBID]
ChemDiv1_014892 [DBID]
DivK1c_003196 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 779.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.3±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.28
ACD/KOC (pH 5.5): 684.58
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.49
ACD/KOC (pH 7.4): 686.81
Polar Surface Area: 108 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

Click to predict properties on the Chemicalize site


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