ChemSpider 2D Image | 4-Amino-N~5~-(4-chlorophenyl)-N~5~-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide | C26H28ClN5O4S

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

  • Molecular FormulaC26H28ClN5O4S
  • Average mass542.050 Da
  • Monoisotopic mass541.155029 Da
  • ChemSpider ID2431860

More details:

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

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

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

ASN 03897233 [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: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.25
ACD/KOC (pH 5.5): 1160.83
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.25
ACD/KOC (pH 7.4): 1160.83
Polar Surface Area: 169 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

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