ChemSpider 2D Image | (9S)-9-Methyl-3-{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl}-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione | C26H35N5O6

(9S)-9-Methyl-3-{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl}-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID77210444

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-9-Methyl-3-{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl}-14-oxa-3,8,11-triazaspiro[5.12]octadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S)-9-Methyl-3-{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl}-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione [ACD/IUPAC Name]
(9S)-9-Méthyl-3-{4-[(4-méthyl-1,2,5-oxadiazol-3-yl)méthoxy]benzoyl}-14-oxa-3,8,11-triazaspiro[5.12]octadécane-7,10-dione [French] [ACD/IUPAC Name]
14-Oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione, 9-methyl-3-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-, (9S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.55
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.42
ACD/KOC (pH 5.5): 83.98
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.42
ACD/KOC (pH 7.4): 83.98
Polar Surface Area: 136 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 397.4±5.0 cm3

Click to predict properties on the Chemicalize site


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