ChemSpider 2D Image | (2S,9R,9aR,12'R)-2-Isopropyl-12'-methyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.0~2,11~.0~4,9~]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione | C26H25N5O4

(2S,9R,9aR,12'R)-2-Isopropyl-12'-methyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.02,11.04,9]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione

  • Molecular FormulaC26H25N5O4
  • Average mass471.508 Da
  • Monoisotopic mass471.190643 Da
  • ChemSpider ID30797225

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,9R,9aR,12'R)-2-Isopropyl-12'-methyl-1,9a-dihydro-3'H,16'H-spiro[imidazo[1,2-a]indole-9,14'-[13]oxa[2,10,17]triazatetracyclo[10.3.2.02,11.04,9]heptadeca[4,6,8,10]tetraene]-3,3',16'(2H)-trione [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.806
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 12.99
ACD/KOC (pH 5.5): 188.27
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.60
ACD/KOC (pH 7.4): 313.19
Polar Surface Area: 103 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 293.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement