ChemSpider 2D Image | 4-Amino-N~5~-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N~5~-(4-fluorobenzyl)-1,2-thiazole-3,5-dicarboxamide | C28H26FN5O3S

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

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID2431938

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[(4-fluorophenyl)methyl]-N5-[1-(4-methylphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]- [ACD/Index Name]
4-Amino-N5-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N5-(4-fluorbenzyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N5-(4-fluorobenzyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(4-méthylphényl)-2-oxoéthyl]-N5-(4-fluorobenzyl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 03907313 [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: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.47
ACD/KOC (pH 5.5): 983.32
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.47
ACD/KOC (pH 7.4): 983.34
Polar Surface Area: 160 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

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