ChemSpider 2D Image | N-(4-Chlorobenzyl)-15-isobutyl-9,12-dioxa-15-azatricyclo[15.3.1.0~3,8~]henicosa-1(21),3,5,7,17,19-hexaene-5-carboxamide | C30H35ClN2O3

N-(4-Chlorobenzyl)-15-isobutyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaene-5-carboxamide

  • Molecular FormulaC30H35ClN2O3
  • Average mass507.064 Da
  • Monoisotopic mass506.233612 Da
  • ChemSpider ID77204203

More details:

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

14H-9,13-Metheno-1,4,7-benzodioxaazacyclohexadecine-16-carboxamide, N-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-7-(2-methylpropyl)- [ACD/Index Name]
N-(4-Chlorbenzyl)-15-isobutyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-5-carboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-15-isobutyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaene-5-carboxamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-15-isobutyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]hénicosa-1(21),3,5,7,17,19-hexaène-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 135.19
ACD/KOC (pH 5.5): 279.77
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 6510.19
ACD/KOC (pH 7.4): 13472.57
Polar Surface Area: 51 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 447.3±3.0 cm3

Click to predict properties on the Chemicalize site


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