ChemSpider 2D Image | Ethyl 1-[3-(isonicotinoylamino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzoyl]-4-piperidinecarboxylate | C32H35N5O5

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

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID13132011

More details:

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

1-[3-(Isonicotinoylamino)-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-pyridinylcarbonyl)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-(isonicotinoylamino)-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-(isonicotinoylamino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzoyl]-4-piperidincarboxylat [German] [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: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.65
ACD/KOC (pH 5.5): 198.84
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 209.04
Polar Surface Area: 112 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

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