ChemSpider 2D Image | 4-Amino-N~5~-(2,5-dimethoxyphenyl)-N~5~-{2-[(3-methylbutyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide | C25H31N5O6S

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

  • Molecular FormulaC25H31N5O6S
  • Average mass529.609 Da
  • Monoisotopic mass529.199524 Da
  • ChemSpider ID2425531

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-(2,5-dimethoxyphenyl)-N5-[2-[(3-methylbutyl)amino]-1-(5-methyl-2-furanyl)-2-oxoethyl]- [ACD/Index Name]
4-Amino-N5-(2,5-dimethoxyphenyl)-N5-{2-[(3-methylbutyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(2,5-dimethoxyphenyl)-N5-{2-[(3-methylbutyl)amino]-1-(5-methyl-2-furyl)-2-oxoethyl}-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(2,5-diméthoxyphényl)-N5-{2-[(3-méthylbutyl)amino]-1-(5-méthyl-2-furyl)-2-oxoéthyl}-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
ZINC12715121

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

ASN 03580978 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.51
ACD/KOC (pH 5.5): 224.36
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.51
ACD/KOC (pH 7.4): 224.36
Polar Surface Area: 191 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

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