ChemSpider 2D Image | (1R,3S)-3-[1-(5-Chloro-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]cyclopentanamine | C17H20ClN7O

(1R,3S)-3-[1-(5-Chloro-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]cyclopentanamine

  • Molecular FormulaC17H20ClN7O
  • Average mass373.840 Da
  • Monoisotopic mass373.141785 Da
  • ChemSpider ID30969243
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,3S)-3-[1-(5-Chlor-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]cyclopentanamin [German] [ACD/IUPAC Name]
(1R,3S)-3-[1-(5-Chloro-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]cyclopentanamine [ACD/IUPAC Name]
(1R,3S)-3-[1-(5-Chloro-2-méthoxyphényl)-3-(1H-1,2,4-triazol-1-ylméthyl)-1H-1,2,4-triazol-5-yl]cyclopentanamine [French] [ACD/IUPAC Name]
Cyclopentanamine, 3-[1-(5-chloro-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]-, (1R,3S)- [ACD/Index Name]
(1R*,3S*)-3-[1-(5-chloro-2-methoxyphenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-5-yl]cyclopentanamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 637.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.5±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 244.3±7.0 cm3

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