ChemSpider 2D Image | N-[5-({2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide | C22H22N6O5S2

N-[5-({2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID2482649

More details:

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

Benzamide, N-[5-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro- [ACD/Index Name]
N-[5-({2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-[5-({2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide [ACD/IUPAC Name]
N-[5-({2-[4-(2-Méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide [French] [ACD/IUPAC Name]

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

ASN 09858926 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.59
ACD/KOC (pH 5.5): 738.96
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 52.22
ACD/KOC (pH 7.4): 538.98
Polar Surface Area: 187 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 85.0±5.0 dyne/cm
Molar Volume: 341.2±5.0 cm3

Click to predict properties on the Chemicalize site


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