ChemSpider 2D Image | 3-(4-Morpholinylmethyl)-N-(3-phenylpropyl)-1,4-thiazepane-4-carboxamide | C20H31N3O2S

3-(4-Morpholinylmethyl)-N-(3-phenylpropyl)-1,4-thiazepane-4-carboxamide

  • Molecular FormulaC20H31N3O2S
  • Average mass377.544 Da
  • Monoisotopic mass377.213684 Da
  • ChemSpider ID30754843

More details:

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

1,4-Thiazepine-4(5H)-carboxamide, tetrahydro-3-(4-morpholinylmethyl)-N-(3-phenylpropyl)- [ACD/Index Name]
3-(4-Morpholinylmethyl)-N-(3-phenylpropyl)-1,4-thiazepan-4-carboxamid [German] [ACD/IUPAC Name]
3-(4-Morpholinylmethyl)-N-(3-phenylpropyl)-1,4-thiazepane-4-carboxamide [ACD/IUPAC Name]
3-(4-Morpholinylméthyl)-N-(3-phénylpropyl)-1,4-thiazépane-4-carboxamide [French] [ACD/IUPAC Name]
1426314-58-0 [RN]
3-(morpholinomethyl)-N-(3-phenylpropyl)-1,4-thiazepane-4-carboxamide
3-[(morpholin-4-yl)methyl]-N-(3-phenylpropyl)-1,4-thiazepane-4-carboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 34.94
ACD/KOC (pH 7.4): 344.54
Polar Surface Area: 70 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

Click to predict properties on the Chemicalize site


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