ChemSpider 2D Image | 4-Amino-N~5~-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N~5~-(4-isopropylphenyl)-1,2-thiazole-3,5-dicarboxamide | C28H33N5O4S

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

  • Molecular FormulaC28H33N5O4S
  • Average mass535.658 Da
  • Monoisotopic mass535.225342 Da
  • ChemSpider ID2428926

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-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(4-isopropylphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N5-(4-isopropylphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(cyclohexylamino)-1-(4-hydroxyphényl)-2-oxoéthyl]-N5-(4-isopropylphényl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 03780007 [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: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.11
ACD/KOC (pH 5.5): 721.64
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.03
ACD/KOC (pH 7.4): 710.36
Polar Surface Area: 180 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 393.7±5.0 cm3

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