ChemSpider 2D Image | 4-Amino-N~5~-(1,3-benzodioxol-5-ylmethyl)-N~5~-{1-(4-hydroxyphenyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide | C24H25N5O7S

4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-(4-hydroxyphenyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC24H25N5O7S
  • Average mass527.550 Da
  • Monoisotopic mass527.147461 Da
  • ChemSpider ID2439980

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(4-hydroxyphenyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl]- [ACD/Index Name]
4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-(4-hydroxyphenyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-(4-hydroxyphenyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-ylméthyl)-N5-{1-(4-hydroxyphényl)-2-[(2-méthoxyéthyl)amino]-2-oxoéthyl}-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 04450894 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 409.2±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.71
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.22
Polar Surface Area: 208 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 358.5±3.0 cm3

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