ChemSpider 2D Image | 17-(Methoxymethyl)-12-{[1-(methylsulfonyl)-4-piperidinyl]acetyl}-9-oxa-1,12-diazatricyclo[15.2.2.0~3,8~]henicosa-3,5,7-trien-2-one | C28H43N3O6S

17-(Methoxymethyl)-12-{[1-(methylsulfonyl)-4-piperidinyl]acetyl}-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-2-one

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID77203957

More details:

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

13H-9,12-Ethano-1,4,12-benzoxadiazacyclopentadecin-13-one, 2,3,4,5,6,7,8,9,10,11-decahydro-9-(methoxymethyl)-4-[2-[1-(methylsulfonyl)-4-piperidinyl]acetyl]- [ACD/Index Name]
17-(Methoxymethyl)-12-{[1-(methylsulfonyl)-4-piperidinyl]acetyl}-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-2-on [German] [ACD/IUPAC Name]
17-(Methoxymethyl)-12-{[1-(methylsulfonyl)-4-piperidinyl]acetyl}-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-2-one [ACD/IUPAC Name]
17-(Méthoxyméthyl)-12-{2-[1-(méthylsulfonyl)-4-pipéridinyl]acétyl}-9-oxa-1,12-diazatricyclo[15.2.2.03,8]hénicosa-3,5,7-trién-2-one [French] [ACD/IUPAC 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: 725.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.80
ACD/KOC (pH 5.5): 763.73
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.80
ACD/KOC (pH 7.4): 763.73
Polar Surface Area: 105 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 436.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement