ChemSpider 2D Image | 2-{4-[(Z)-{[({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-2-methoxyphenoxy}-N-cyclohexylacetamide | C34H38N6O5S

2-{4-[(Z)-{[({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-2-methoxyphenoxy}-N-cyclohexylacetamide

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID100378511

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(Z)-{[({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-2-methoxyphenoxy}-N-cyclohexylacetamid [German] [ACD/IUPAC Name]
2-{4-[(Z)-{[({4-Allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]-2-methoxyphenoxy}-N-cyclohexylacetamide [ACD/IUPAC Name]
2-{4-[(Z)-{[2-({4-Allyl-5-[(2-naphtyloxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]-2-méthoxyphénoxy}-N-cyclohexylacétamide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[(2-naphthalenyloxy)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methylene]hydrazide [ACD/Index 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: 1.640
Molar Refractivity: 179.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7635.17
ACD/KOC (pH 5.5): 20936.76
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7634.34
ACD/KOC (pH 7.4): 20934.46
Polar Surface Area: 154 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 497.3±7.0 cm3

Click to predict properties on the Chemicalize site


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