ChemSpider 2D Image | N-(3-Acetylphenyl)-2-{[5-{[(3-chlorophenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C26H24ClN5O2S

N-(3-Acetylphenyl)-2-{[5-{[(3-chlorophenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID1017325

More details:

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

Acetamide, N-(3-acetylphenyl)-2-[[5-[[(3-chlorophenyl)amino]methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(3-Acetylphenyl)-2-{[5-{[(3-chlorophenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-Acétylphényl)-2-{[5-{[(3-chlorophényl)amino]méthyl}-4-(4-méthylphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(3-Acetylphenyl)-2-{[5-{[(3-chlorphenyl)amino]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-ACETYLPHENYL)-2-[[5-[(3-CHLOROANILINO)METHYL]-4-(4-METHYLPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
N-(3-acetylphenyl)-2-{[5-[(3-chloroanilino)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

AG-690/40753169 [DBID]
ASN 02224061 [DBID]

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: 1.664
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6049.84
ACD/KOC (pH 5.5): 17722.97
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6051.12
ACD/KOC (pH 7.4): 17726.71
Polar Surface Area: 114 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

Click to predict properties on the Chemicalize site


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