ChemSpider 2D Image | [20-Methoxy-15-(phenylsulfonyl)-18-oxa-3,6,10,15-tetraazatricyclo[17.3.1.0~2,6~]tricosa-1(23),2,4,19,21-pentaen-10-yl](tetrahydro-2H-pyran-4-yl)methanone | C31H40N4O6S

[20-Methoxy-15-(phenylsulfonyl)-18-oxa-3,6,10,15-tetraazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-10-yl](tetrahydro-2H-pyran-4-yl)methanone

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID112743795

More details:

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

[20-Methoxy-15-(phenylsulfonyl)-18-oxa-3,6,10,15-tetraazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-10-yl](tetrahydro-2H-pyran-4-yl)methanon [German] [ACD/IUPAC Name]
[20-Methoxy-15-(phenylsulfonyl)-18-oxa-3,6,10,15-tetraazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-10-yl](tetrahydro-2H-pyran-4-yl)methanone [ACD/IUPAC Name]
[20-Méthoxy-15-(phénylsulfonyl)-18-oxa-3,6,10,15-tétraazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaén-10-yl](tétrahydro-2H-pyran-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [6,7,10,11,12,13,14,15-octahydro-18-methoxy-13-(phenylsulfonyl)-21,17-metheno-5H,17H-imidazo[1,2-m][1,4,9,13]oxatriazacyclononadecin-8(9H)-yl](tetrahydro-2H-pyran-4-yl)- [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: 809.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.3±37.1 °C
Index of Refraction: 1.621
Molar Refractivity: 162.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 58.19
ACD/KOC (pH 5.5): 361.20
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 398.16
ACD/KOC (pH 7.4): 2471.51
Polar Surface Area: 112 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 461.4±7.0 cm3

Click to predict properties on the Chemicalize site


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