ChemSpider 2D Image | 4-Amino-N~5~-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-N~5~-phenyl-1,2-thiazole-3,5-dicarboxamide | C27H32N6O3S

4-Amino-N5-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID2436679

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N5-phenyl- [ACD/Index Name]
4-Amino-N5-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-N5-phenyl-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-{2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl}-N5-phenyl-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-{2-(cyclohexylamino)-1-[4-(diméthylamino)phényl]-2-oxoéthyl}-N5-phényl-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 04364831 [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: 710.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.76
ACD/KOC (pH 5.5): 462.93
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.29
ACD/KOC (pH 7.4): 481.70
Polar Surface Area: 163 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 386.5±5.0 cm3

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