Found 5 results

Search term: MF = 'C_{37}H_{31}NO_{5}S'
ChemSpider 2D Image | (2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1-(4-methylphenyl)-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl}-2-propen-1-one | C37H31NO5S

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1-(4-methylphenyl)-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl}-2-propen-1-one

  • Molecular FormulaC37H31NO5S
  • Average mass601.711 Da
  • Monoisotopic mass601.192322 Da
  • ChemSpider ID58921201

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1-(4-methylphenyl)-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl}-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1-(4-methylphenyl)-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl}-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Hydroxy-3-méthoxyphényl)-1-{3-[(E)-2-(4-hydroxy-3-méthoxyphényl)vinyl]-1-(4-méthylphényl)-1H-pyrido[2,1-b][1,3]benzothiazol-2-yl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-hydroxy-3-methoxyphenyl)-1-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(4-methylphenyl)-1H-pyrido[2,1-b]benzothiazol-2-yl]-, (2E)- [ACD/Index 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: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 174.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46350.53
ACD/KOC (pH 5.5): 76126.02
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46020.67
ACD/KOC (pH 7.4): 75584.25
Polar Surface Area: 105 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

Click to predict properties on the Chemicalize site


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