ChemSpider 2D Image | 3-[({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-(mesitylsulfonyl)-L-alanine | C26H33N7O5S

3-[({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-(mesitylsulfonyl)-L-alanine

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID8896848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-(mesitylsulfonyl)-L-alanin [German] [ACD/IUPAC Name]
3-[({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-(mesitylsulfonyl)-L-alanine [ACD/IUPAC Name]
3-[({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-(mésitylsulfonyl)-L-alanine [French] [ACD/IUPAC Name]
3-[({1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-N-[(2,4,6-trimethylphenyl)sulfonyl]-L-alanine
L-Alanine, 3-[[[1-[3-[(4,5-dihydro-1H-imidazol-2-yl)amino]propyl]-1H-indazol-5-yl]carbonyl]amino]-N-[(2,4,6-trimethylphenyl)sulfonyl]- [ACD/Index Name]
3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid
CHEMBL346345
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL346345/

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: 1.684
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 385.0±7.0 cm3

Click to predict properties on the Chemicalize site


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