ChemSpider 2D Image | 3-Acetyl-2-(5-methoxy-2-(4-(N-methyl-N-(3,4,5-trimethoxyphenethyl)amino)butoxy)phenyl)benzothiazoline | C32H40N2O6S

3-Acetyl-2-(5-methoxy-2-(4-(N-methyl-N-(3,4,5-trimethoxyphenethyl)amino)butoxy)phenyl)benzothiazoline

  • Molecular FormulaC32H40N2O6S
  • Average mass580.735 Da
  • Monoisotopic mass580.260681 Da
  • ChemSpider ID8184554

More details:






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

1-{2-[5-Methoxy-2-(4-{methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethanon [German] [ACD/IUPAC Name]
1-{2-[5-Methoxy-2-(4-{methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethanone [ACD/IUPAC Name]
1-{2-[5-Méthoxy-2-(4-{méthyl[2-(3,4,5-triméthoxyphényl)éthyl]amino}butoxy)phényl]-1,3-benzothiazol-3(2H)-yl}éthanone [French] [ACD/IUPAC Name]
3-Acetyl-2-(5-methoxy-2-(4-(N-methyl-N-(3,4,5-trimethoxyphenethyl)amino)butoxy)phenyl)benzothiazoline
Ethanone, 1-[2-[5-methoxy-2-[4-[methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amino]butoxy]phenyl]-3(2H)-benzothiazolyl]- [ACD/Index Name]
1-{2-[5-METHOXY-2-(4-{METHYL[2-(3,4,5-TRIMETHOXYPHENYL)ETHYL]AMINO}BUTOXY)PHENYL]-2H-1,3-BENZOTHIAZOL-3-YL}ETHANONE
1-{2-[5-Methoxy-2-(4-{methyl-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-amino}-butoxy)-phenyl]-benzothiazol-3-yl}-ethanone(SA2572)

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

SA-2572 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 739.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.2±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 16.32
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 104.69
ACD/KOC (pH 7.4): 323.41
Polar Surface Area: 95 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 491.5±3.0 cm3

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