ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-[({1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-L-alanine | C25H27N7O5

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

  • Molecular FormulaC25H27N7O5
  • Average mass505.526 Da
  • Monoisotopic mass505.207367 Da
  • ChemSpider ID8704942

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, 3-[[[1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl]carbonyl]amino]-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-[({1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-L-alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-[({1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-L-alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-[({1-[3-(1H-imidazol-2-ylamino)propyl]-1H-indazol-5-yl}carbonyl)amino]-L-alanine [French] [ACD/IUPAC Name]
2-Benzyloxycarbonylamino-3-({1-[3-(1H-imidazol-2-ylamino)-propyl]-1H-indazole-5-carbonyl}-amino)-propionic acid
CHEMBL154271

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: 1.683
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 355.1±7.0 cm3

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