ChemSpider 2D Image | 4-Amino-N~5~-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N~5~-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide | C30H31N5O5S

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

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID2436509

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[1-(3,4-dimethoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N5-(2,3-dimethylphenyl)- [ACD/Index Name]
4-Amino-N5-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N5-(2,3-dimethylphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N5-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-[2-(benzylamino)-1-(3,4-diméthoxyphényl)-2-oxoéthyl]-N5-(2,3-diméthylphényl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 04364421 [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: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.73
ACD/KOC (pH 5.5): 785.08
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.74
ACD/KOC (pH 7.4): 785.08
Polar Surface Area: 178 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

Click to predict properties on the Chemicalize site


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