ChemSpider 2D Image | (6S)-5-[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one | C22H23N3O4S

(6S)-5-[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one

  • Molecular FormulaC22H23N3O4S
  • Average mass425.501 Da
  • Monoisotopic mass425.140930 Da
  • ChemSpider ID88297552

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-5-[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-chinolinyl]-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-on [German] [ACD/IUPAC Name]
(6S)-5-[1-(3,4-Diméthoxybenzoyl)-1,2,3,4-tétrahydro-6-quinoléinyl]-6-méthyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one [French] [ACD/IUPAC Name]
(6S)-5-[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one [ACD/IUPAC Name]
2H-1,3,4-Thiadiazin-2-one, 5-[1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6-quinolinyl]-3,6-dihydro-6-methyl-, (6S)- [ACD/Index Name]
(6S)-5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
148714-88-9 [RN]
CID 15681557
EMD57439

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.32
ACD/KOC (pH 5.5): 481.96
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.28
ACD/KOC (pH 7.4): 481.54
Polar Surface Area: 106 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 312.1±7.0 cm3

Click to predict properties on the Chemicalize site


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