Found 53 results

Search term: MF = 'C_{22}H_{16}N_{2}O_{6}S_{2}'
ChemSpider 2D Image | (3-Oxo-6-{[3-(2-thienylethynyl)phenyl]sulfamoyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid | C22H16N2O6S2

(3-Oxo-6-{[3-(2-thienylethynyl)phenyl]sulfamoyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid

  • Molecular FormulaC22H16N2O6S2
  • Average mass468.502 Da
  • Monoisotopic mass468.044983 Da
  • ChemSpider ID29972885

More details:

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

(3-Oxo-6-{[3-(2-thienylethinyl)phenyl]sulfamoyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)essigsäure [German] [ACD/IUPAC Name]
(3-Oxo-6-{[3-(2-thienylethynyl)phenyl]sulfamoyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-6-[[[3-[2-(2-thienyl)ethynyl]phenyl]amino]sulfonyl]- [ACD/Index Name]
Acide (3-oxo-6-{[3-(2-thiényléthynyl)phényl]sulfamoyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 810.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.7±37.1 °C
Index of Refraction: 1.744
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 291.2±5.0 cm3

Click to predict properties on the Chemicalize site


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