ChemSpider 2D Image | 4-Amino-N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~5~-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,2-thiazole-3,5-dicarboxamide | C27H29N5O6S

4-Amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID2432045

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-[1-(4-methylphenyl)-2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]- [ACD/Index Name]
4-Amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-{1-(4-methylphenyl)-2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N5-{1-(4-méthylphényl)-2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
4-amino-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-keto-1-(p-tolyl)-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide

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

ASN 03921187 [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: 760.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.6±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.18
ACD/KOC (pH 5.5): 195.98
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.18
ACD/KOC (pH 7.4): 195.98
Polar Surface Area: 187 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 391.9±3.0 cm3

Click to predict properties on the Chemicalize site


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