ChemSpider 2D Image | 1-(6-Chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one | C29H27ClN2O5S2

1-(6-Chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H27ClN2O5S2
  • Average mass583.118 Da
  • Monoisotopic mass582.104980 Da
  • ChemSpider ID2626979

More details:

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

1-(6-Chlor-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(6-Chloro-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(6-Chloro-1,3-benzothiazol-2-yl)-5-[3-éthoxy-4-(pentyloxy)phényl]-3-hydroxy-4-(2-thiénylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(6-chloro-2-benzothiazolyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-4-(2-thienylcarbonyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 704.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.6±35.7 °C
Index of Refraction: 1.672
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 6030.82
ACD/KOC (pH 5.5): 8953.61
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 104.04
ACD/KOC (pH 7.4): 154.46
Polar Surface Area: 145 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

Click to predict properties on the Chemicalize site


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