Found 1 result

Search term: PRZPXKIXNNNNCD-DJICYOIISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3s,5s,7s)-N-{4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl}-1-adamantanecarboxamide | C26H39N3O2

(3s,5s,7s)-N-{4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl}-1-adamantanecarboxamide

  • Molecular FormulaC26H39N3O2
  • Average mass425.607 Da
  • Monoisotopic mass425.304230 Da
  • ChemSpider ID23124517

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-N-{4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl}-1-adamantancarboxamid [German] [ACD/IUPAC Name]
(3s,5s,7s)-N-{4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl}-1-adamantanecarboxamide [ACD/IUPAC Name]
(3s,5s,7s)-N-{4-[4-(2-Méthoxyphényl)-1-pipérazinyl]butyl}-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(3s,5s,7s)-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}tricyclo[3.3.1.13,7]decane-1-carboxamide
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]- [ACD/Index Name]
Adamantane-1-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
N-{4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl}adamantane-1-carboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 6.41
ACD/KOC (pH 5.5): 34.08
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 273.24
ACD/KOC (pH 7.4): 1453.32
Polar Surface Area: 45 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 376.6±3.0 cm3

Click to predict properties on the Chemicalize site


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