ChemSpider 2D Image | N-(3-Acetylphenyl)-2-({4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C24H27N5O4S2

N-(3-Acetylphenyl)-2-({4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID966640

More details:

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

Acetamide, N-(3-acetylphenyl)-2-[[4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(3-Acetylphenyl)-2-({4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-(3-Acetylphenyl)-2-({4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(3-Acétylphényl)-2-({4-éthyl-5-[4-(1-pyrrolidinylsulfonyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]

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

ASN 03366353 [DBID]
ZINC00879221 [DBID]

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: 1.680
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.83
ACD/KOC (pH 5.5): 1504.32
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.83
ACD/KOC (pH 7.4): 1504.32
Polar Surface Area: 148 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 367.8±7.0 cm3

Click to predict properties on the Chemicalize site


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