ChemSpider 2D Image | 4-Amino-N~5~-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N~5~-(4-isopropylphenyl)-1,2-thiazole-3,5-dicarboxamide | C30H31N5O3S

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

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID2431941

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[4-(1-methylethyl)phenyl]-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-isopropylphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-N5-(4-isopropylphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(4-méthylphényl)-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 03907523 [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: 723.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.50
ACD/KOC (pH 5.5): 1639.68
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.50
ACD/KOC (pH 7.4): 1639.68
Polar Surface Area: 160 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 418.0±3.0 cm3

Click to predict properties on the Chemicalize site


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