ChemSpider 2D Image | (7-Chloro-2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)(2,6-dichloro-3-pyridinyl)methanone | C16H13Cl3N2OS

(7-Chloro-2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)(2,6-dichloro-3-pyridinyl)methanone

  • Molecular FormulaC16H13Cl3N2OS
  • Average mass387.711 Da
  • Monoisotopic mass385.981415 Da
  • ChemSpider ID30112329

More details:

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

(7-Chlor-2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)(2,6-dichlor-3-pyridinyl)methanon [German] [ACD/IUPAC Name]
(7-Chloro-2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)(2,6-dichloro-3-pyridinyl)methanone [ACD/IUPAC Name]
(7-Chloro-2-méthyl-3,4-dihydro-1,5-benzothiazépin-5(2H)-yl)(2,6-dichloro-3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (7-chloro-3,4-dihydro-2-methyl-1,5-benzothiazepin-5(2H)-yl)(2,6-dichloro-3-pyridinyl)- [ACD/Index Name]
1356549-72-8 [RN]
7-chloro-5-(2,6-dichloropyridine-3-carbonyl)-2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2203.07
ACD/KOC (pH 5.5): 8600.73
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2203.07
ACD/KOC (pH 7.4): 8600.74
Polar Surface Area: 59 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


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