ChemSpider 2D Image | Ethyl 4-({[(4-allyl-5-{1-[(2,4-dichlorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate | C25H25Cl2N5O4S

Ethyl 4-({[(4-allyl-5-{1-[(2,4-dichlorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID2232259

More details:

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

4-({2-[(4-Allyl-5-{1-[(2,4-dichlorobenzoyl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[5-[1-[(2,4-dichlorobenzoyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[(4-allyl-5-{1-[(2,4-dichlorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[(4-allyl-5-{1-[(2,4-dichlorbenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
ethyl 4-({[(4-allyl-5-{1-[(2,4-dichlorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate
ethyl 4-{2-[(5-{1-[(2,4-dichlorophenyl)formamido]ethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

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: 1.640
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4200.94
ACD/KOC (pH 5.5): 13651.50
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4200.90
ACD/KOC (pH 7.4): 13651.37
Polar Surface Area: 141 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 407.4±7.0 cm3

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