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Search term: BZHIMJWVFLBIRF-QGZVFWFLSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-hydroxybutyl)-2-piperazinecarboxamide | C21H31N5O3S

1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-hydroxybutyl)-2-piperazinecarboxamide

  • Molecular FormulaC21H31N5O3S
  • Average mass433.568 Da
  • Monoisotopic mass433.214752 Da
  • ChemSpider ID129208993

More details:

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

1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-hydroxybutyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-hydroxybutyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
1-[4-(4-Acétyl-3-éthyl-5-méthyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-hydroxybutyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1-[4-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-thiazolyl]-N-(4-hydroxybutyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.585
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 78.77
Polar Surface Area: 139 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 351.8±3.0 cm3

Click to predict properties on the Chemicalize site


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