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Search term: KDJYQHKQLPMHPG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[4-(3,5-Dimethylbenzoyl)tetrahydro-2H-thiopyran-4-yl]-3-methoxy-2-methylbenzamide | C23H27NO3S

N-[4-(3,5-Dimethylbenzoyl)tetrahydro-2H-thiopyran-4-yl]-3-methoxy-2-methylbenzamide

  • Molecular FormulaC23H27NO3S
  • Average mass397.530 Da
  • Monoisotopic mass397.171173 Da
  • ChemSpider ID23148734

More details:

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

Benzamide, N-[4-(3,5-dimethylbenzoyl)tetrahydro-2H-thiopyran-4-yl]-3-methoxy-2-methyl- [ACD/Index Name]
N-[4-(3,5-Dimethylbenzoyl)tetrahydro-2H-thiopyran-4-yl]-3-methoxy-2-methylbenzamid [German] [ACD/IUPAC Name]
N-[4-(3,5-Dimethylbenzoyl)tetrahydro-2H-thiopyran-4-yl]-3-methoxy-2-methylbenzamide [ACD/IUPAC Name]
N-[4-(3,5-Diméthylbenzoyl)tétrahydro-2H-thiopyrane-4-yl]-3-méthoxy-2-méthylbenzamide [French] [ACD/IUPAC Name]
CHEMBL52252
N-[4-(3,5-Dimethyl-benzoyl)-tetrahydro-thiopyran-4-yl]-3-methoxy-2-methyl-benzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1664.93
ACD/KOC (pH 5.5): 7038.37
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1664.88
ACD/KOC (pH 7.4): 7038.16
Polar Surface Area: 81 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


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