Found 259 results

Search term: MF = 'C_{20}H_{29}NO_{2}S'
ChemSpider 2D Image | 2-(Cyclopentylsulfanyl)-1-[3-(4-methoxyphenyl)-1-azepanyl]ethanone | C20H29NO2S

2-(Cyclopentylsulfanyl)-1-[3-(4-methoxyphenyl)-1-azepanyl]ethanone

  • Molecular FormulaC20H29NO2S
  • Average mass347.515 Da
  • Monoisotopic mass347.191895 Da
  • ChemSpider ID31081576

More details:

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

2-(Cyclopentylsulfanyl)-1-[3-(4-methoxyphenyl)-1-azepanyl]ethanon [German] [ACD/IUPAC Name]
2-(Cyclopentylsulfanyl)-1-[3-(4-methoxyphenyl)-1-azepanyl]ethanone [ACD/IUPAC Name]
2-(Cyclopentylsulfanyl)-1-[3-(4-méthoxyphényl)-1-azépanyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(cyclopentylthio)-1-[hexahydro-3-(4-methoxyphenyl)-1H-azepin-1-yl]- [ACD/Index Name]
1795420-02-8 [RN]
2-(cyclopentylsulfanyl)-1-[3-(4-methoxyphenyl)azepan-1-yl]ethan-1-one
2-(cyclopentylthio)-1-(3-(4-methoxyphenyl)azepan-1-yl)ethanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1281.96
ACD/KOC (pH 5.5): 5837.35
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1281.96
ACD/KOC (pH 7.4): 5837.35
Polar Surface Area: 55 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 305.9±5.0 cm3

Click to predict properties on the Chemicalize site


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