ChemSpider 2D Image | (5E)-6-[3-(N''-Cyano-N'-cyclopentylcarbamimidamido)phenyl]-6-(3-pyridinyl)-5-hexenoic acid | C24H27N5O2

(5E)-6-[3-(N''-Cyano-N'-cyclopentylcarbamimidamido)phenyl]-6-(3-pyridinyl)-5-hexenoic acid

  • Molecular FormulaC24H27N5O2
  • Average mass417.504 Da
  • Monoisotopic mass417.216461 Da
  • ChemSpider ID34973065

More details:

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

(5E)-6-[3-(N''-Cyan-N'-cyclopentylcarbamimidamido)phenyl]-6-(3-pyridinyl)-5-hexensäure [German] [ACD/IUPAC Name]
(5E)-6-[3-(N''-Cyano-N'-cyclopentylcarbamimidamido)phenyl]-6-(3-pyridinyl)-5-hexenoic acid [ACD/IUPAC Name]
5-Hexenoic acid, 6-[3-[[(E)-(cyanoimino)(cyclopentylamino)methyl]amino]phenyl]-6-(3-pyridinyl)-, (5E)- [ACD/Index Name]
Acide (5E)-6-[3-(N''-cyano-N'-cyclopentylcarbamimidamido)phényl]-6-(3-pyridinyl)-5-hexénoïque [French] [ACD/IUPAC Name]
CHEMBL21639

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 13.92
ACD/KOC (pH 5.5): 117.75
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 110 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

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