Found 176 results

Search term: MF = 'C_{33}H_{29}N_{5}O_{4}'
ChemSpider 2D Image | 2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-[4-(2-naphthoylamino)phenyl]propanoic acid | C33H29N5O4

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

  • Molecular FormulaC33H29N5O4
  • Average mass559.615 Da
  • Monoisotopic mass559.221924 Da
  • ChemSpider ID9679817

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-(2-naphthoylamino)phenyl]propanoic acid [ACD/IUPAC Name]
2-{[(3-Benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)carbonyl]amino}-3-[4-(2-naphthoylamino)phenyl]propansäure [German] [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-(2-naphtoylamino)phényl]propanoïque [French] [ACD/IUPAC Name]

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: 1.701
Molar Refractivity: 158.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 19.53
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 410.5±7.0 cm3

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