ChemSpider 2D Image | 1-[17-(Hydroxymethyl)-9-oxa-1,12-diazatricyclo[15.2.2.0~3,8~]henicosa-3,5,7-trien-12-yl]-2-[1-(methylsulfonyl)-4-piperidinyl]ethanone | C27H43N3O5S

1-[17-(Hydroxymethyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-12-yl]-2-[1-(methylsulfonyl)-4-piperidinyl]ethanone

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID77203978

More details:

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

1-[17-(Hydroxymethyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-12-yl]-2-[1-(methylsulfonyl)-4-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-[17-(Hydroxymethyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-12-yl]-2-[1-(methylsulfonyl)-4-piperidinyl]ethanone [ACD/IUPAC Name]
1-[17-(Hydroxyméthyl)-9-oxa-1,12-diazatricyclo[15.2.2.03,8]hénicosa-3,5,7-trién-12-yl]-2-[1-(méthylsulfonyl)-4-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[1-(methylsulfonyl)-4-piperidinyl]-1-[2,3,6,7,8,9,10,11-octahydro-9-(hydroxymethyl)-13H-9,12-ethano-1,4,12-benzoxadiazacyclopentadecin-4(5H)-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: 695.9±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±33.7 °C
Index of Refraction: 1.599
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 18.31
Polar Surface Area: 99 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement