ChemSpider 2D Image | 4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)-3,5-isothiazoledicarboxamide | C24H27N5O4S2

4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)-3,5-isothiazoledicarboxamide

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID2424532

More details:

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

1032383-47-3 [RN]
3,5-Isothiazoledicarboxamide, 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)- [ACD/Index Name]
4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thiényl)éthyl]-N5-(4-éthoxyphényl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-ethoxyphenyl)-3,5-isothiazoledicarboxamide

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

ASN 03438083 [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: 713.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 385.0±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.29
ACD/KOC (pH 5.5): 437.00
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.29
ACD/KOC (pH 7.4): 437.00
Polar Surface Area: 197 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

Click to predict properties on the Chemicalize site


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