ChemSpider 2D Image | 2-{4-[(2,5-Dimethyl-3-thienyl)sulfonyl]-1,4-diazepan-1-yl}-1-(1-pyrrolidinyl)ethanone | C17H27N3O3S2

2-{4-[(2,5-Dimethyl-3-thienyl)sulfonyl]-1,4-diazepan-1-yl}-1-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC17H27N3O3S2
  • Average mass385.545 Da
  • Monoisotopic mass385.149384 Da
  • ChemSpider ID22394820

More details:

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

2-{4-[(2,5-Dimethyl-3-thienyl)sulfonyl]-1,4-diazepan-1-yl}-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[(2,5-Dimethyl-3-thienyl)sulfonyl]-1,4-diazepan-1-yl}-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-{4-[(2,5-Diméthyl-3-thiényl)sulfonyl]-1,4-diazépan-1-yl}-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]-1-(1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 23.77
ACD/KOC (pH 5.5): 314.48
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.98
ACD/KOC (pH 7.4): 396.61
Polar Surface Area: 98 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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