ChemSpider 2D Image | (1S,3R,13R,16R)-19-Methoxy-16-phenyl-5,17-dioxa-15,20-diazapentacyclo[11.5.2.0~1,15~.0~3,13~.0~6,11~]icosa-6,8,10,19-tetraen-14-one | C23H22N2O4

(1S,3R,13R,16R)-19-Methoxy-16-phenyl-5,17-dioxa-15,20-diazapentacyclo[11.5.2.01,15.03,13.06,11]icosa-6,8,10,19-tetraen-14-one

  • Molecular FormulaC23H22N2O4
  • Average mass390.432 Da
  • Monoisotopic mass390.157959 Da
  • ChemSpider ID30651880

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3R,13R,16R)-19-Methoxy-16-phenyl-5,17-dioxa-15,20-diazapentacyclo[11.5.2.01,15.03,13.06,11]icosa-6,8,10,19-tetraen-14-on [German] [ACD/IUPAC Name]
(1S,3R,13R,16R)-19-Methoxy-16-phenyl-5,17-dioxa-15,20-diazapentacyclo[11.5.2.01,15.03,13.06,11]icosa-6,8,10,19-tetraen-14-one [ACD/IUPAC Name]
(1S,3R,13R,16R)-19-Méthoxy-16-phényl-5,17-dioxa-15,20-diazapentacyclo[11.5.2.01,15.03,13.06,11]icosa-6,8,10,19-tétraén-14-one [French] [ACD/IUPAC Name]
6H,12H-5a,13a-(Nitrilometheno)-1H,3H,5H-[1]benzoxepino[3,4-d]oxazolo[3,4-a]pyridin-5-one, 12a,13-dihydro-14-methoxy-3-phenyl-, (3R,5aR,12aR,13aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 106.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.47
ACD/KOC (pH 5.5): 888.91
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.50
ACD/KOC (pH 7.4): 889.14
Polar Surface Area: 60 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

Click to predict properties on the Chemicalize site


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