ChemSpider 2D Image | Isopropyl 3-({[(4-allyl-5-{[(4-chlorobenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-chlorobenzoate | C25H25Cl2N5O4S

Isopropyl 3-({[(4-allyl-5-{[(4-chlorobenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-chlorobenzoate

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID4281477

More details:

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

3-({2-[(4-Allyl-5-{[(4-chlorobenzoyl)amino]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)-4-chlorobenzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-({[(4-allyl-5-{[(4-chlorobenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-chlorobenzoate [ACD/IUPAC Name]
Isopropyl-3-({[(4-allyl-5-{[(4-chlorbenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-chlorbenzoat [German] [ACD/IUPAC Name]

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: 5.52
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3201.90
ACD/KOC (pH 5.5): 11239.88
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3201.79
ACD/KOC (pH 7.4): 11239.52
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

Click to predict properties on the Chemicalize site


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