ChemSpider 2D Image | 1-(4-{4-[3-(1-Azocanyl)-2-hydroxypropoxy]-3-methoxybenzyl}-1,4-diazepan-1-yl)ethanone | C25H41N3O4

1-(4-{4-[3-(1-Azocanyl)-2-hydroxypropoxy]-3-methoxybenzyl}-1,4-diazepan-1-yl)ethanone

  • Molecular FormulaC25H41N3O4
  • Average mass447.611 Da
  • Monoisotopic mass447.309692 Da
  • ChemSpider ID23059775

More details:

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

1-(4-{4-[3-(1-Azocanyl)-2-hydroxypropoxy]-3-methoxybenzyl}-1,4-diazepan-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[3-(1-Azocanyl)-2-hydroxypropoxy]-3-methoxybenzyl}-1,4-diazepan-1-yl)ethanone [ACD/IUPAC Name]
1-(4-{4-[3-(1-Azocanyl)-2-hydroxypropoxy]-3-méthoxybenzyl}-1,4-diazépan-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[4-[3-(hexahydro-1(2H)-azocinyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
1-{4-[(4-acetyl-1,4-diazepan-1-yl)methyl]-2-methoxyphenoxy}-3-(1-azocanyl)-2-propanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 4.49
ACD/KOC (pH 7.4): 38.85
Polar Surface Area: 65 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 403.8±3.0 cm3

Click to predict properties on the Chemicalize site


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