ChemSpider 2D Image | 4-Amino-N~5~-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N~5~-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide | C26H35ClN6O4S

4-Amino-N5-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC26H35ClN6O4S
  • Average mass563.112 Da
  • Monoisotopic mass562.212891 Da
  • ChemSpider ID2431799

More details:






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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N5-[3-(4-morpholinyl)propyl]- [ACD/Index Name]
4-Amino-N5-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[1-(4-chlorophényl)-2-(cyclohexylamino)-2-oxoéthyl]-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
4-Amino-N5-[1-(4-chlorphenyl)-2-(cyclohexylamino)-2-oxoethyl]-N5-[3-(4-morpholinyl)propyl]-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]

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

ASN 03894643 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 736.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.64
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.10
ACD/KOC (pH 7.4): 176.86
Polar Surface Area: 172 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

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