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Search term: XUNHAAXAXQCMHA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {[5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)-3-thienyl]oxy}acetic acid | C25H25BrN6O5S2

{[5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)-3-thienyl]oxy}acetic acid

  • Molecular FormulaC25H25BrN6O5S2
  • Average mass633.537 Da
  • Monoisotopic mass632.051086 Da
  • ChemSpider ID17218357

More details:

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

{[5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-brom-2-(2H-tetrazol-5-yl)-3-thienyl]oxy}essigsäure [German] [ACD/IUPAC Name]
{[5-(3-{[1-(Benzylsulfonyl)-4-piperidinyl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)-3-thienyl]oxy}acetic acid [ACD/IUPAC Name]
{[5-(3-{[1-(Benzylsulfonyl)piperidin-4-Yl]amino}phenyl)-4-Bromo-2-(2h-Tetrazol-5-Yl)-3-Thienyl]oxy}acetic Acid
Acetic acid, 2-[[4-bromo-5-[3-[[1-[(phenylmethyl)sulfonyl]-4-piperidinyl]amino]phenyl]-2-(2H-tetrazol-5-yl)-3-thienyl]oxy]- [ACD/Index Name]
Acide {[5-(3-{[1-(benzylsulfonyl)-4-pipéridinyl]amino}phényl)-4-bromo-2-(2H-tétrazol-5-yl)-3-thiényl]oxy}acétique [French] [ACD/IUPAC Name]
CHEMBL241070

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

902 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 864.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.5±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 96.1±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

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