Found 578 results

Search term: MF = 'C_{25}H_{27}NO_{3}S'
ChemSpider 2D Image | {1-[4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoyl]-3-piperidinyl}[2-(methylsulfanyl)phenyl]methanone | C25H27NO3S

{1-[4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoyl]-3-piperidinyl}[2-(methylsulfanyl)phenyl]methanone

  • Molecular FormulaC25H27NO3S
  • Average mass421.552 Da
  • Monoisotopic mass421.171173 Da
  • ChemSpider ID22172854

More details:

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

{1-[4-(3-Hydroxy-3-methyl-1-butin-1-yl)benzoyl]-3-piperidinyl}[2-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
{1-[4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoyl]-3-piperidinyl}[2-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
{1-[4-(3-Hydroxy-3-méthyl-1-butyn-1-yl)benzoyl]-3-pipéridinyl}[2-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzoyl]-3-piperidinyl][2-(methylthio)phenyl]- [ACD/Index Name]
{1-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzoyl]-3-piperidinyl}[2-(methylthio)phenyl]methanone
2-METHYL-4-(4-{3-[2-(METHYLSULFANYL)BENZOYL]PIPERIDINE-1-CARBONYL}PHENYL)BUT-3-YN-2-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.6±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 553.92
ACD/KOC (pH 5.5): 3201.55
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 553.92
ACD/KOC (pH 7.4): 3201.55
Polar Surface Area: 83 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

Click to predict properties on the Chemicalize site


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