ChemSpider 2D Image | N-(Adamantan-1-ylmethyl)-2-({4-allyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C29H40N4O2S

N-(Adamantan-1-ylmethyl)-2-({4-allyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID4019427

More details:

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

Acetamide, 2-[[5-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- [ACD/Index Name]
N-(Adamantan-1-ylmethyl)-2-({4-allyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-ylmethyl)-2-({4-allyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(Adamantan-1-ylméthyl)-2-({4-allyl-5-[(2-isopropyl-5-méthylphénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36590.05
ACD/KOC (pH 5.5): 64274.01
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36591.06
ACD/KOC (pH 7.4): 64275.77
Polar Surface Area: 94 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 401.4±7.0 cm3

Click to predict properties on the Chemicalize site


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