ChemSpider 2D Image | 3-(1-Pyrrolidinylmethyl)-N-(2-thienylmethyl)-1,4-thiazepane-4-carboxamide | C16H25N3OS2

3-(1-Pyrrolidinylmethyl)-N-(2-thienylmethyl)-1,4-thiazepane-4-carboxamide

  • Molecular FormulaC16H25N3OS2
  • Average mass339.519 Da
  • Monoisotopic mass339.143890 Da
  • ChemSpider ID30754752

More details:

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

1,4-Thiazepine-4(5H)-carboxamide, tetrahydro-3-(1-pyrrolidinylmethyl)-N-(2-thienylmethyl)- [ACD/Index Name]
3-(1-Pyrrolidinylmethyl)-N-(2-thienylmethyl)-1,4-thiazepan-4-carboxamid [German] [ACD/IUPAC Name]
3-(1-Pyrrolidinylmethyl)-N-(2-thienylmethyl)-1,4-thiazepane-4-carboxamide [ACD/IUPAC Name]
3-(1-Pyrrolidinylméthyl)-N-(2-thiénylméthyl)-1,4-thiazépane-4-carboxamide [French] [ACD/IUPAC Name]
1421455-33-5 [RN]
3-(pyrrolidin-1-ylmethyl)-N-(thiophen-2-ylmethyl)-1,4-thiazepane-4-carboxamide
3-[(pyrrolidin-1-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,4-thiazepane-4-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.23
Polar Surface Area: 89 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


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