ChemSpider 2D Image | N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-(2-thienylsulfonyl)prolinamide | C23H27ClN4O4S3

N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-(2-thienylsulfonyl)prolinamide

  • Molecular FormulaC23H27ClN4O4S3
  • Average mass555.133 Da
  • Monoisotopic mass554.088318 Da
  • ChemSpider ID49274082

More details:

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

2-Pyrrolidinecarboxamide, N-(6-chloro-4-methyl-2-benzothiazolyl)-N-[2-(4-morpholinyl)ethyl]-1-(2-thienylsulfonyl)- [ACD/Index Name]
N-(6-Chlor-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-(2-thienylsulfonyl)prolinamid [German] [ACD/IUPAC Name]
N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-(2-thienylsulfonyl)prolinamide [ACD/IUPAC Name]
N-(6-Chloro-4-méthyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)éthyl]-1-(2-thiénylsulfonyl)prolinamide [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: 712.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.6±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 75.55
ACD/KOC (pH 5.5): 479.08
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.26
ACD/KOC (pH 7.4): 2404.88
Polar Surface Area: 148 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 379.8±3.0 cm3

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