ChemSpider 2D Image | N-[3-(Adamantan-1-yloxy)propyl]-4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide | C26H37N3O4S

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

  • Molecular FormulaC26H37N3O4S
  • Average mass487.655 Da
  • Monoisotopic mass487.250488 Da
  • ChemSpider ID22490111

More details:

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

4H-1,2,4-Benzothiadiazine-3-butanamide, β,β-dimethyl-N-[3-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]-, 1,1-dioxide [ACD/Index Name]
N-[3-(Adamantan-1-yloxy)propyl]-4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-[3-(Adamantan-1-yloxy)propyl]-4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-[3-(Adamantan-1-yloxy)propyl]-4-(1,1-dioxydo-2H-1,2,4-benzothiadiazin-3-yl)-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
1019170-38-7 [RN]
N-(3-((3s,5s,7s)-adamantan-1-yloxy)propyl)-4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethylbutanamide
N-[3-(adamantan-1-yloxy)propyl]-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide

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: 131.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.11
ACD/KOC (pH 5.5): 1642.90
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.21
ACD/KOC (pH 7.4): 1628.59
Polar Surface Area: 105 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 355.3±7.0 cm3

Click to predict properties on the Chemicalize site


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