ChemSpider 2D Image | (18R)-5,5,9-Trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.0~2,10~.0~3,8~.0~14,18~]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide | C26H34N4O2

(18R)-5,5,9-Trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide

  • Molecular FormulaC26H34N4O2
  • Average mass434.574 Da
  • Monoisotopic mass434.268188 Da
  • ChemSpider ID26325227

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(18R)-5,5,9-Trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaen-22-carboxamid [German] [ACD/IUPAC Name]
(18R)-5,5,9-Trimethyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaene-22-carboxamide [ACD/IUPAC Name]
(18R)-5,5,9-Triméthyl-7-oxo-2,14,20-triazapentacyclo[19.3.1.02,10.03,8.014,18]pentacosa-1(25),3(8),9,21,23-pentaène-22-carboxamide [French] [ACD/IUPAC Name]
(3ar)-13,13,16-Trimethyl-15-Oxo-1,2,3,3a,4,5,12,14,15,17,18,19-Dodecahydro-13h-10,6-(Metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-A]indole-7-Carboxamide
6,10-Metheno-1H,13H-pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, 2,3,3a,4,5,12,14,15,17,18,19-undecahydro-13,13,16-trimethyl-15-oxo-, (3aR)- [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: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 14.72
ACD/KOC (pH 7.4): 78.76
Polar Surface Area: 80 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 328.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement