ChemSpider 2D Image | Adamantan-1-ylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate | C26H29N5O4S

Adamantan-1-ylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID4460069

More details:

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

4-({[2-Méthyl-5-(1H-tétrazol-1-yl)phényl]sulfonyl}amino)benzoate d'adamantan-1-ylméthyle [French] [ACD/IUPAC Name]
Adamantan-1-ylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate [ACD/IUPAC Name]
Adamantan-1-ylmethyl-4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl]amino]-, tricyclo[3.3.1.13,7]dec-1-ylmethyl ester [ACD/Index Name]
(adamantan-1-yl)methyl 4-[2-methyl-5-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonamido]benzoate
1-adamantylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate
adamantan-1-ylmethyl 4-(2-methyl-5-(1H-tetrazol-1-yl)phenylsulfonamido)benzoate
adamantanylmethyl 4-{[(2-methyl-5-(1,2,3,4-tetraazolyl)phenyl)sulfonyl]amino}benzoate
tricyclo[3.3.1.13,7]dec-1-ylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate

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

A3896/0165688 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 692.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 372.6±34.3 °C
    Index of Refraction: 1.736
    Molar Refractivity: 135.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 4.72
    ACD/BCF (pH 5.5): 2200.36
    ACD/KOC (pH 5.5): 8278.60
    ACD/LogD (pH 7.4): 3.73
    ACD/BCF (pH 7.4): 227.59
    ACD/KOC (pH 7.4): 856.28
    Polar Surface Area: 124 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 64.2±7.0 dyne/cm
    Molar Volume: 337.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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