ChemSpider 2D Image | [7-(1,3-Benzodioxol-5-yl)-1,4-thiazepan-4-yl][1-(2-thienyl)cyclopentyl]methanone | C22H25NO3S2

[7-(1,3-Benzodioxol-5-yl)-1,4-thiazepan-4-yl][1-(2-thienyl)cyclopentyl]methanone

  • Molecular FormulaC22H25NO3S2
  • Average mass415.569 Da
  • Monoisotopic mass415.127594 Da
  • ChemSpider ID35005107

More details:

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

[7-(1,3-Benzodioxol-5-yl)-1,4-thiazepan-4-yl][1-(2-thienyl)cyclopentyl]methanon [German] [ACD/IUPAC Name]
[7-(1,3-Benzodioxol-5-yl)-1,4-thiazepan-4-yl][1-(2-thienyl)cyclopentyl]methanone [ACD/IUPAC Name]
[7-(1,3-Benzodioxol-5-yl)-1,4-thiazépan-4-yl][1-(2-thiényl)cyclopentyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [7-(1,3-benzodioxol-5-yl)tetrahydro-1,4-thiazepin-4(5H)-yl][1-(2-thienyl)cyclopentyl]- [ACD/Index Name]
(7-(benzo[d][1,3]dioxol-5-yl)-1,4-thiazepan-4-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
1705881-78-2 [RN]
7-(2H-1,3-benzodioxol-5-yl)-4-[1-(thiophen-2-yl)cyclopentanecarbonyl]-1,4-thiazepane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1356.92
ACD/KOC (pH 5.5): 6079.67
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1356.92
ACD/KOC (pH 7.4): 6079.67
Polar Surface Area: 92 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site


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