ChemSpider 2D Image | 4,5-Dichloro-1-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide | C15H17Cl2N3OS

4,5-Dichloro-1-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC15H17Cl2N3OS
  • Average mass358.286 Da
  • Monoisotopic mass357.046936 Da
  • ChemSpider ID30273978

More details:

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

1H-Pyrrole-2-carboxamide, 4,5-dichloro-1-methyl-N-[2-(4,5,6,7-tetrahydro-2-benzothiazolyl)ethyl]- [ACD/Index Name]
4,5-Dichlor-1-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4,5-Dichloro-1-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4,5-Dichloro-1-méthyl-N-[2-(4,5,6,7-tétrahydro-1,3-benzothiazol-2-yl)éthyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.697
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1137.64
ACD/KOC (pH 5.5): 5319.19
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1167.52
ACD/KOC (pH 7.4): 5458.90
Polar Surface Area: 75 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

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