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Search term: KMNBCUUTUMNJGS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-[({5-Amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazol-1-yl}carbonyl)amino]-4-(benzyloxy)-3-biphenylcarboxylic acid | C29H25N7O6S

4'-[({5-Amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazol-1-yl}carbonyl)amino]-4-(benzyloxy)-3-biphenylcarboxylic acid

  • Molecular FormulaC29H25N7O6S
  • Average mass599.617 Da
  • Monoisotopic mass599.158691 Da
  • ChemSpider ID115008209

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 4'-[[[5-amino-3-[[4-(aminosulfonyl)phenyl]amino]-1H-1,2,4-triazol-1-yl]carbonyl]amino]-4-(phenylmethoxy)- [ACD/Index Name]
4'-[({5-Amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazol-1-yl}carbonyl)amino]-4-(benzyloxy)-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[({5-Amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazol-1-yl}carbonyl)amino]-4-(benzyloxy)-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-[({5-amino-3-[(4-sulfamoylphényl)amino]-1H-1,2,4-triazol-1-yl}carbonyl)amino]-4-(benzyloxy)-3-biphénylcarboxylique [French] [ACD/IUPAC Name]

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: 1.721
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 11.78
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 213 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 397.7±7.0 cm3

Click to predict properties on the Chemicalize site


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