ChemSpider 2D Image | 2-[({[4-Benzyl-5-(1-piperidiniumylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3,5-dichlorobenzoate | C24H25Cl2N5O3S

2-[({[4-Benzyl-5-(1-piperidiniumylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3,5-dichlorobenzoate

  • Molecular FormulaC24H25Cl2N5O3S
  • Average mass534.458 Da
  • Monoisotopic mass533.105530 Da
  • ChemSpider ID1821962

More details:

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

2-[({[4-Benzyl-5-(1-piperidiniumylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3,5-dichlorbenzoat [German] [ACD/IUPAC Name]
2-[({[4-Benzyl-5-(1-piperidiniumylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3,5-dichlorobenzoate [ACD/IUPAC Name]
2-[(2-{[4-Benzyl-5-(1-pipéridiniumylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]-3,5-dichlorobenzoate [French] [ACD/IUPAC Name]
Piperidinium, 1-[[5-[[2-[(2-carboxy-4,6-dichlorophenyl)amino]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 67.71
ACD/KOC (pH 5.5): 137.85
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 29.28
ACD/KOC (pH 7.4): 59.61
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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