ChemSpider 2D Image | (2Z,5Z)-3-Butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-one | C27H32N4O3S2

(2Z,5Z)-3-Butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-one

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID2355538

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,5Z)-3-Butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-yliden)-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2Z,5Z)-3-Butyl-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-{[4-(4-morpholinyl)phenyl]imino}-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2Z,5Z)-3-Butyl-5-(3-éthyl-5-méthoxy-1,3-benzothiazol-2(3H)-ylidène)-2-{[4-(4-morpholinyl)phényl]imino}-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 3-butyl-5-(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)-2-[[4-(4-morpholinyl)phenyl]imino]-, (2Z,5Z)- [ACD/Index Name]

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

AG-690/36165036 [DBID]
BAS 00333659 [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: 627.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 239.85
ACD/KOC (pH 5.5): 1527.17
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.90
ACD/KOC (pH 7.4): 2488.90
Polar Surface Area: 108 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 397.9±7.0 cm3

Click to predict properties on the Chemicalize site


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