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

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

  • Molecular FormulaC25H31N5O6S
  • Average mass529.609 Da
  • Monoisotopic mass529.199524 Da
  • ChemSpider ID2430791

More details:

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

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

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

ASN 03872523 [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: 693.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.62
ACD/KOC (pH 5.5): 225.68
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.62
ACD/KOC (pH 7.4): 225.69
Polar Surface Area: 191 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 406.7±3.0 cm3

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