ChemSpider 2D Image | {[(2S)-4-Phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)-2-thienyl]acetic acid | C19H19N5O3S2

{[(2S)-4-Phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)-2-thienyl]acetic acid

  • Molecular FormulaC19H19N5O3S2
  • Average mass429.516 Da
  • Monoisotopic mass429.092926 Da
  • ChemSpider ID25059190

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[(2S)-4-Phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)-2-thienyl]acetic acid [ACD/IUPAC Name]
{[(2S)-4-Phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)-2-thienyl]essigsäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, α-[[(2S)-2-(mercaptomethyl)-1-oxo-4-phenylbutyl]imino]-5-(1H-tetrazol-1-ylmethyl)- [ACD/Index Name]
Acide {[(2S)-4-phényl-2-(sulfanylméthyl)butanoyl]imino}[5-(1H-tétrazol-1-ylméthyl)-2-thiényl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.8±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 297.4±7.0 cm3

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