ChemSpider 2D Image | {[(4Z)-4-{[(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalenyl]sulfanyl}acetic acid | C20H14N2O7S2

{[(4Z)-4-{[(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalenyl]sulfanyl}acetic acid

  • Molecular FormulaC20H14N2O7S2
  • Average mass458.464 Da
  • Monoisotopic mass458.024231 Da
  • ChemSpider ID21820400

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(4Z)-4-{[(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalenyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(4Z)-4-{[(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphthalinyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(4Z)-4-[[(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]imino]-1,4-dihydro-1-oxo-2-naphthalenyl]thio]- [ACD/Index Name]
Acide {[(4Z)-4-{[(3-méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydro-2-naphtalényl]sulfanyl}acétique [French] [ACD/IUPAC Name]
[((4Z)-4-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]imino}-1-oxo-1,4-dihydronaphthalen-2-yl)thio]acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 705.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.3±35.7 °C
Index of Refraction: 1.729
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.27
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 285.3±7.0 cm3

Click to predict properties on the Chemicalize site


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