ChemSpider 2D Image | 2-{[5-(1-Azepanylsulfonyl)-2-pyridinyl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide | C18H29N3O3S2

2-{[5-(1-Azepanylsulfonyl)-2-pyridinyl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide

  • Molecular FormulaC18H29N3O3S2
  • Average mass399.571 Da
  • Monoisotopic mass399.165039 Da
  • ChemSpider ID21765407

More details:

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

2-{[5-(1-Azepanylsulfonyl)-2-pyridinyl]sulfanyl}-N-(2-methyl-2-propanyl)propanamid [German] [ACD/IUPAC Name]
2-{[5-(1-Azepanylsulfonyl)-2-pyridinyl]sulfanyl}-N-(2-methyl-2-propanyl)propanamide [ACD/IUPAC Name]
2-{[5-(1-Azépanylsulfonyl)-2-pyridinyl]sulfanyl}-N-(2-méthyl-2-propanyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(1,1-dimethylethyl)-2-[[5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-2-pyridinyl]thio]- [ACD/Index Name]
2-{[5-(AZEPANE-1-SULFONYL)PYRIDIN-2-YL]SULFANYL}-N-TERT-BUTYLPROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.11
ACD/KOC (pH 5.5): 934.18
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.11
ACD/KOC (pH 7.4): 934.19
Polar Surface Area: 113 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 321.8±5.0 cm3

Click to predict properties on the Chemicalize site


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