ChemSpider 2D Image | 2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoic acid | C28H24Cl2N6O4

2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoic acid

  • Molecular FormulaC28H24Cl2N6O4
  • Average mass579.434 Da
  • Monoisotopic mass578.123596 Da
  • ChemSpider ID9838980

More details:

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

2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-{4-[(3,5-dichlorisonicotinoyl)amino]phenyl}propansäure [German] [ACD/IUPAC Name]
2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoic acid [ACD/IUPAC Name]
Acide 2-{[(3-benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-{4-[(3,5-dichloroisonicotinoyl)amino]phényl}propanoïque [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: 1.719
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 382.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement