ChemSpider 2D Image | N-[3-(Adamantan-1-yloxy)propyl]-3-(6-methyl-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)propanamide | C24H33N3O4S

N-[3-(Adamantan-1-yloxy)propyl]-3-(6-methyl-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)propanamide

  • Molecular FormulaC24H33N3O4S
  • Average mass459.602 Da
  • Monoisotopic mass459.219177 Da
  • ChemSpider ID21472224

More details:

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

2H-1,2,4-Benzothiadiazine-3-propanamide, 6-methyl-N-[3-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]-, 1,1-dioxide [ACD/Index Name]
N-[3-(Adamantan-1-yloxy)propyl]-3-(6-methyl-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)propanamid [German] [ACD/IUPAC Name]
N-[3-(Adamantan-1-yloxy)propyl]-3-(6-methyl-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)propanamide [ACD/IUPAC Name]
N-[3-(Adamantan-1-yloxy)propyl]-3-(6-méthyl-1,1-dioxydo-2H-1,2,4-benzothiadiazin-3-yl)propanamide [French] [ACD/IUPAC Name]
896684-04-1 [RN]
BTD
N-[3-(1-adamantyloxy)propyl]-3-(6-methyl-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)propanamide
N-[3-(1-adamantyloxy)propyl]-3-(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanamide

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: 1.691
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.59
ACD/KOC (pH 5.5): 1023.45
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.36
ACD/KOC (pH 7.4): 1012.23
Polar Surface Area: 105 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 318.7±7.0 cm3

Click to predict properties on the Chemicalize site


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