ChemSpider 2D Image | 4-Amino-N~5~-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N~5~-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide | C26H29N5O4S

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

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID2428924

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(2-methylphenyl)- [ACD/Index Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(2-methylphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphényl)-2-oxoéthyl]-N5-(2-méthylphényl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]
4-amino-N'-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-keto-ethyl]-N'-(o-tolyl)isothiazole-3,5-dicarboxamide

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

ASN 03780002 [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: 713.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 385.5±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.80
ACD/KOC (pH 5.5): 413.98
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.27
ACD/KOC (pH 7.4): 407.12
Polar Surface Area: 180 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 360.9±5.0 cm3

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