Found 160 results

Search term: MF = 'C_{25}H_{22}ClNO_{3}S'
ChemSpider 2D Image | Methyl 1-(3-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)-1,2,3,4-tetrahydro-5-quinolinecarboxylate | C25H22ClNO3S

Methyl 1-(3-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)-1,2,3,4-tetrahydro-5-quinolinecarboxylate

  • Molecular FormulaC25H22ClNO3S
  • Average mass451.965 Da
  • Monoisotopic mass451.100891 Da
  • ChemSpider ID22454956

More details:

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

1-(3-{[(4-Chlorophényl)sulfanyl]méthyl}benzoyl)-1,2,3,4-tétrahydro-5-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Quinolinecarboxylic acid, 1-[3-[[(4-chlorophenyl)thio]methyl]benzoyl]-1,2,3,4-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 1-(3-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)-1,2,3,4-tetrahydro-5-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-1-(3-{[(4-chlorphenyl)sulfanyl]methyl}benzoyl)-1,2,3,4-tetrahydro-5-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8655.84
ACD/KOC (pH 5.5): 22904.26
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8655.84
ACD/KOC (pH 7.4): 22904.26
Polar Surface Area: 72 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

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