ChemSpider 2D Image | 23-Methoxy-17-{4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoyl}-21-oxa-4,14,17-triazatetracyclo[20.3.1.0~3,11~.0~5,10~]hexacosa-1(26),3(11),5,7,9,22,24-heptaen-15-one | C34H36N6O5

23-Methoxy-17-{4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoyl}-21-oxa-4,14,17-triazatetracyclo[20.3.1.03,11.05,10]hexacosa-1(26),3(11),5,7,9,22,24-heptaen-15-one

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID81377634

More details:

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

1H-15,11-Metheno[1,5,8]oxadiazacyclooctadecino[12,11-b]indol-4(5H)-one, 2,3,6,7,8,9,16,17-octahydro-12-methoxy-6-[1-oxo-4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butyl]- [ACD/Index Name]
23-Methoxy-17-{4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoyl}-21-oxa-4,14,17-triazatetracyclo[20.3.1.03,11.05,10]hexacosa-1(26),3(11),5,7,9,22,24-heptaen-15-on [German] [ACD/IUPAC Name]
23-Methoxy-17-{4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoyl}-21-oxa-4,14,17-triazatetracyclo[20.3.1.03,11.05,10]hexacosa-1(26),3(11),5,7,9,22,24-heptaen-15-one [ACD/IUPAC Name]
23-Méthoxy-17-{4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoyl}-21-oxa-4,14,17-triazatétracyclo[20.3.1.03,11.05,10]hexacosa-1(26),3(11),5,7,9,22,24-heptaén-15-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 167.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 262.06
ACD/KOC (pH 5.5): 1873.61
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 262.10
ACD/KOC (pH 7.4): 1873.88
Polar Surface Area: 135 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 489.5±3.0 cm3

Click to predict properties on the Chemicalize site


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