ChemSpider 2D Image | 1'-Bromo-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}-4'H-spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane]-4'-carboxamide | C27H33BrN2O4

1'-Bromo-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}-4'H-spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide

  • Molecular FormulaC27H33BrN2O4
  • Average mass529.466 Da
  • Monoisotopic mass528.162354 Da
  • ChemSpider ID154897

More details:

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

1'-Bromo-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}-4'H-spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide [ACD/IUPAC Name]
Spiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]-4'-carboxamide, 1'-bromo-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]- [ACD/Index Name]
152191-69-0 [RN]
N-(3-(3-Piperidin-1-ylmethylphenoxy)propyl)-1-bromo-9,9-ethylenedioxypentacyclo(4.3.0.0(2,5).0(3,8).0(4,7)nonane)-4-carboxamide
N-(3'-(3'-piperidinomethylphenoxy)propyl)-1-bromo-9,9-ethylenedioxypentacyclo(4.3.0.0(2,5).0(3,8).
N-(3'-(3'-Piperidinomethylphenoxy)propyl)-1-bromo-9,9-ethylenedioxypentacyclo(4.3.0.0(2,5).0(3,8).0(4,7)nonane)-4-carboxamide
PPPBE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.66
Polar Surface Area: 60 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 347.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement