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Search term: MWPSCDADLVLAMD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{2-[1-(3-Chloro-2-methylphenyl)-3-(cyclopropylmethyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine | C20H28ClN5

1-{2-[1-(3-Chloro-2-methylphenyl)-3-(cyclopropylmethyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID30983124

More details:

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

1-{2-[1-(3-Chlor-2-methylphenyl)-3-(cyclopropylmethyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazin [German] [ACD/IUPAC Name]
1-{2-[1-(3-Chloro-2-methylphenyl)-3-(cyclopropylmethyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine [ACD/IUPAC Name]
1-{2-[1-(3-Chloro-2-méthylphényl)-3-(cyclopropylméthyl)-1H-1,2,4-triazol-5-yl]éthyl}-4-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[2-[1-(3-chloro-2-methylphenyl)-3-(cyclopropylmethyl)-1H-1,2,4-triazol-5-yl]ethyl]-4-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 13.40
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 86.79
ACD/KOC (pH 7.4): 630.04
Polar Surface Area: 37 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 289.8±7.0 cm3

Click to predict properties on the Chemicalize site


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