ChemSpider 2D Image | 5-Oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]octahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | C19H23N2O4S2

5-Oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]octahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate

  • Molecular FormulaC19H23N2O4S2
  • Average mass407.527 Da
  • Monoisotopic mass407.110474 Da
  • ChemSpider ID21200404

  • Charge - Charge

More details:

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

5-Oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]octahydro-7H-pyrido[2,1-b][1,3]thiazepin-7-carboxylat [German] [ACD/IUPAC Name]
5-Oxo-4-[(3-phenyl-2-sulfanylpropanoyl)amino]octahydro-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate [ACD/IUPAC Name]
5-Oxo-4-[(3-phényl-2-sulfanylpropanoyl)amino]octahydro-7H-pyrido[2,1-b][1,3]thiazépine-7-carboxylate [French] [ACD/IUPAC Name]
7H-Pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid, octahydro-4-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-5-oxo-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 724.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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