ChemSpider 2D Image | Tubulozole | C23H23Cl2N3O4S

Tubulozole

  • Molecular FormulaC23H23Cl2N3O4S
  • Average mass508.417 Da
  • Monoisotopic mass507.078644 Da
  • ChemSpider ID102913
  • defined stereocentres - 2 of 2 defined stereocentres


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

(R,R)-tubulozole
[4-({[(2R,4R)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthyl}sulfanyl)phényl]carbamate d'éthyle
[4-({[(2R,4R)-2-(2,4-Dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthyl}sulfanyl)phényl]carbamate d'éthyle [French] [ACD/IUPAC Name]
84697-22-3 [RN]
Carbamic acid, N-[4-[[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl [4-({[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate [ACD/IUPAC Name]
ethyl-[4-({[(2r,4r)-2-(2,4-dichlorphenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamat
Ethyl-[4-({[(2R,4R)-2-(2,4-dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamat [German] [ACD/IUPAC Name]
Tubulozole [INN]
Carbamic acid, (4-((((2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)phenyl)-, ethyl ester, rel-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 376450 [DBID]
R 46846 [DBID]
  • Miscellaneous
    • Chemical Class:

      An ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have <stereo>R</stereo>-configuration. ChEBI CHEBI:83932

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 124.16
ACD/KOC (pH 5.5): 447.93
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2231.15
ACD/KOC (pH 7.4): 8049.00
Polar Surface Area: 100 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 363.0±7.0 cm3

Click to predict properties on the Chemicalize site






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