ChemSpider 2D Image | 4-Amino-N~5~-{1-(3,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N~5~-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide | C27H33N5O6S

4-Amino-N5-{1-(3,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC27H33N5O6S
  • Average mass555.646 Da
  • Monoisotopic mass555.215149 Da
  • ChemSpider ID2436577

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[1-(3,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl]-N5-(4-methoxyphenyl)- [ACD/Index Name]
4-Amino-N5-{1-(3,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N5-(4-methoxyphenyl)-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-{1-(3,4-dimethoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl}-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-{1-(3,4-diméthoxyphényl)-2-[(3-méthylbutyl)amino]-2-oxoéthyl}-N5-(4-méthoxyphényl)-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 04364595 [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: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.30
ACD/KOC (pH 5.5): 341.55
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.30
ACD/KOC (pH 7.4): 341.55
Polar Surface Area: 187 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 429.3±3.0 cm3

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