ChemSpider 2D Image | 1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(4-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-(4-pyridinylmethyl)prolinamide | C23H27ClN4O4S3

1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(4-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-(4-pyridinylmethyl)prolinamide

  • Molecular FormulaC23H27ClN4O4S3
  • Average mass555.133 Da
  • Monoisotopic mass554.088318 Da
  • ChemSpider ID110140779

More details:

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

1-[(5-Chlorotetrahydro-2-thiophenyl)sulfonyl]-N-(4-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-(4-pyridinylmethyl)prolinamide [ACD/IUPAC Name]
1-[(5-Chlorotétrahydro-2-thiophényl)sulfonyl]-N-(4-méthoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-(4-pyridinylméthyl)prolinamide [French] [ACD/IUPAC Name]
1-[(5-Chlortetrahydro-2-thiophenyl)sulfonyl]-N-(4-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-(4-pyridinylmethyl)prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(5-chlorotetrahydro-2-thienyl)sulfonyl]-N-(2,3-dihydro-4-methoxy-2-benzothiazolyl)-N-(4-pyridinylmethyl)- [ACD/Index 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: 790.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.6±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 50.97
ACD/KOC (pH 5.5): 540.12
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.41
ACD/KOC (pH 7.4): 693.11
Polar Surface Area: 151 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

Click to predict properties on the Chemicalize site


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