ChemSpider 2D Image | (3-Bromophenyl)[7-(2-chlorophenyl)-1,1-dioxido-1,4-thiazepan-4-yl]methanone | C18H17BrClNO3S

(3-Bromophenyl)[7-(2-chlorophenyl)-1,1-dioxido-1,4-thiazepan-4-yl]methanone

  • Molecular FormulaC18H17BrClNO3S
  • Average mass442.754 Da
  • Monoisotopic mass440.980103 Da
  • ChemSpider ID57826351

More details:

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

(3-Bromophenyl)[7-(2-chlorophenyl)-1,1-dioxido-1,4-thiazepan-4-yl]methanone [ACD/IUPAC Name]
(3-Bromophényl)[7-(2-chlorophényl)-1,1-dioxydo-1,4-thiazépan-4-yl]méthanone [French] [ACD/IUPAC Name]
(3-Bromphenyl)[7-(2-chlorphenyl)-1,1-dioxido-1,4-thiazepan-4-yl]methanon [German] [ACD/IUPAC Name]
Methanone, (3-bromophenyl)[7-(2-chlorophenyl)tetrahydro-1,1-dioxido-1,4-thiazepin-4(5H)-yl]- [ACD/Index Name]
(3-bromophenyl)(7-(2-chlorophenyl)-1,1-dioxido-1,4-thiazepan-4-yl)methanone
2034330-22-6 [RN]
4-(3-bromobenzoyl)-7-(2-chlorophenyl)-1λ6,4-thiazepane-1,1-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.13
ACD/KOC (pH 5.5): 1197.00
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.13
ACD/KOC (pH 7.4): 1197.00
Polar Surface Area: 63 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

Click to predict properties on the Chemicalize site


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