ChemSpider 2D Image | 2-Amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide | C26H21N3O5S

2-Amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide

  • Molecular FormulaC26H21N3O5S
  • Average mass487.527 Da
  • Monoisotopic mass487.120178 Da
  • ChemSpider ID21921454

More details:

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

2-Amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-3-carbonitril-5,5-dioxid [German] [ACD/IUPAC Name]
2-Amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide [ACD/IUPAC Name]
5,5-Dioxyde de 2-amino-4-(4-hydroxyphényl)-6-(3-méthoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile, 2-amino-4,6-dihydro-4-(4-hydroxyphenyl)-6-[(3-methoxyphenyl)methyl]-, 5,5-dioxide [ACD/Index Name]
2-amino-4-(4-hydroxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydrobenzo[c]pyrano[2,3-e][1,2]thiazine-3-carbonitrile 5,5-dioxide
2-amino-4-(4-hydroxyphenyl)-6-[(3-methoxyphenyl)methyl]-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
3-Amino-1-(4-hydroxy-phenyl)-9-(3-methoxy-benzyl)-10,10-dioxo-9,10-dihydro-1H-4-oxa-10λ*6*-thia-9-aza-phenanthrene-2-carbonitrile
4-amino-6-(4-hydroxyphenyl)-9-[(3-methoxyphenyl)methyl]-8,8-dioxo-3-oxa-8λ6-thia-9-azatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),4,10,12-pentaene-5-carbonitrile
893300-74-8 [RN]
MFCD02736153

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

Density: 1.5±0.1 g/cm3
Boiling Point: 792.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 433.3±35.7 °C
Index of Refraction: 1.743
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.91
ACD/KOC (pH 5.5): 1810.46
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 248.88
ACD/KOC (pH 7.4): 1803.01
Polar Surface Area: 134 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 319.6±5.0 cm3

Click to predict properties on the Chemicalize site


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