ChemSpider 2D Image | 4-Amino-N~5~-(3,4-dimethoxyphenyl)-N~5~-{2-[(2-methoxyethyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide | C23H27N5O7S

4-Amino-N5-(3,4-dimethoxyphenyl)-N5-{2-[(2-methoxyethyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC23H27N5O7S
  • Average mass517.555 Da
  • Monoisotopic mass517.163147 Da
  • ChemSpider ID2440178

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-(3,4-dimethoxyphenyl)-N5-[2-[(2-methoxyethyl)amino]-1-(5-methyl-2-furanyl)-2-oxoethyl]- [ACD/Index Name]
4-Amino-N5-(3,4-dimethoxyphenyl)-N5-{2-[(2-methoxyethyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(3,4-dimethoxyphenyl)-N5-{2-[(2-methoxyethyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(3,4-diméthoxyphényl)-N5-{2-[(2-méthoxyéthyl)amino]-1-(5-méthyl-2-furyl)-2-oxoéthyl}-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
ZINC12467539

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

ASN 04451559 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 68.60
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.60
Polar Surface Area: 200 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 377.4±3.0 cm3

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