ChemSpider 2D Image | 14-Chloro-7-[(1-isonicotinoyl-4-piperidinyl)carbonyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione | C26H30ClN5O5

14-Chloro-7-[(1-isonicotinoyl-4-piperidinyl)carbonyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione

  • Molecular FormulaC26H30ClN5O5
  • Average mass528.000 Da
  • Monoisotopic mass527.193542 Da
  • ChemSpider ID81375091

More details:

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

14-Chlor-7-[(1-isonicotinoyl-4-piperidinyl)carbonyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecin-5,12-dion [German] [ACD/IUPAC Name]
14-Chloro-7-[(1-isonicotinoyl-4-piperidinyl)carbonyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione [ACD/IUPAC Name]
14-Chloro-7-[(1-isonicotinoyl-4-pipéridinyl)carbonyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotétradécine-5,12-dione [French] [ACD/IUPAC Name]
2H-1,4,7,11-Benzoxatriazacyclotetradecine-5,12-dione, 14-chloro-3,4,6,7,8,9,10,11-octahydro-7-[[1-(4-pyridinylcarbonyl)-4-piperidinyl]carbonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 892.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 493.8±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -1.32
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.20
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.69
Polar Surface Area: 121 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

Click to predict properties on the Chemicalize site


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