ChemSpider 2D Image | terconazole | C26H31Cl2N5O3

terconazole

  • Molecular FormulaC26H31Cl2N5O3
  • Average mass532.462 Da
  • Monoisotopic mass531.180420 Da
  • ChemSpider ID5211

More details:

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

1-(4-{[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine [ACD/IUPAC Name]
1-(4-{[2-(2,4-Dichlorophényl)-2-(1H-1,2,4-triazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phényl)-4-isopropylpipérazine [French] [ACD/IUPAC Name]
1-(4-{[2-(2,4-Dichlorphenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazin [German] [ACD/IUPAC Name]
cis-1-(p-((2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine
Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3- -dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis-
Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis-
Piperazine, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)- [ACD/Index Name]
terconazole [USAN] [Wiki]
(±)-1-{4-[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}-4-isopropylpiperazine
0KJ2VE664U
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08080 [DBID]
D00888 [DBID]
NSC331942 [DBID]
  • Miscellaneous

    • Chemical Class:

      A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1<element>H</element>-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively. ChEBI CHEBI:82979
      A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectivel y. ChEBI CHEBI:82979

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 15.75
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 134.79
ACD/KOC (pH 7.4): 776.71
Polar Surface Area: 65 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 391.5±7.0 cm3

Click to predict properties on the Chemicalize site


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