ChemSpider 2D Image | 10-Isopropyl-13-(3-{4-[(4-methoxyphenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-2,3,4,5,6,7,10,11-octahydro-1,7,10-benzoxadiazacyclotridecin-8(9H)-one | C33H47N3O5

10-Isopropyl-13-(3-{4-[(4-methoxyphenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-2,3,4,5,6,7,10,11-octahydro-1,7,10-benzoxadiazacyclotridecin-8(9H)-one

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID77203198

More details:

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

1,7,10-Benzoxadiazacyclotridecin-8(9H)-one, 2,3,4,5,6,7,10,11-octahydro-13-[3-[4-[(4-methoxyphenoxy)methyl]-1-piperidinyl]-3-oxopropyl]-10-(1-methylethyl)- [ACD/Index Name]
10-Isopropyl-13-(3-{4-[(4-methoxyphenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-2,3,4,5,6,7,10,11-octahydro-1,7,10-benzoxadiazacyclotridecin-8(9H)-on [German] [ACD/IUPAC Name]
10-Isopropyl-13-(3-{4-[(4-methoxyphenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-2,3,4,5,6,7,10,11-octahydro-1,7,10-benzoxadiazacyclotridecin-8(9H)-one [ACD/IUPAC Name]
10-Isopropyl-13-(3-{4-[(4-méthoxyphénoxy)méthyl]-1-pipéridinyl}-3-oxopropyl)-2,3,4,5,6,7,10,11-octahydro-1,7,10-benzoxadiazacyclotridécin-8(9H)-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 760.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 88.78
ACD/KOC (pH 5.5): 386.47
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1248.41
ACD/KOC (pH 7.4): 5434.63
Polar Surface Area: 80 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 517.2±3.0 cm3

Click to predict properties on the Chemicalize site


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