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

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

  • Molecular FormulaC23H27ClN4O4S3
  • Average mass555.133 Da
  • Monoisotopic mass554.088318 Da
  • ChemSpider ID49268687

More details:

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

2-Pyrrolidinecarboxamide, N-(6-chloro-2-benzothiazolyl)-N-[3-(4-morpholinyl)propyl]-1-(2-thienylsulfonyl)- [ACD/Index Name]
N-(6-Chlor-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1-(2-thienylsulfonyl)prolinamid [German] [ACD/IUPAC Name]
N-(6-Chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-1-(2-thienylsulfonyl)prolinamide [ACD/IUPAC Name]
N-(6-Chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-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: 710.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±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: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 8.26
ACD/KOC (pH 5.5): 58.47
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 192.57
ACD/KOC (pH 7.4): 1362.51
Polar Surface Area: 148 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 380.0±3.0 cm3

Click to predict properties on the Chemicalize site


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