ChemSpider 2D Image | [4-({[5-Methyl-4-(1-pyrrolidinylsulfonyl)-2-furoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid | C15H19N5O6S

[4-({[5-Methyl-4-(1-pyrrolidinylsulfonyl)-2-furoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid

  • Molecular FormulaC15H19N5O6S
  • Average mass397.406 Da
  • Monoisotopic mass397.105591 Da
  • ChemSpider ID54659436

More details:

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

[4-({[5-Methyl-4-(1-pyrrolidinylsulfonyl)-2-furoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]acetic acid [ACD/IUPAC Name]
[4-({[5-Methyl-4-(1-pyrrolidinylsulfonyl)-2-furoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-[[[[5-methyl-4-(1-pyrrolidinylsulfonyl)-2-furanyl]carbonyl]amino]methyl]- [ACD/Index Name]
Acide [4-({[5-méthyl-4-(1-pyrrolidinylsulfonyl)-2-furoyl]amino}méthyl)-1H-1,2,3-triazol-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 241.9±7.0 cm3

Click to predict properties on the Chemicalize site


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