ChemSpider 2D Image | 3-[4-{4-[(1H-Benzimidazol-2-ylamino)methyl]-1-piperidinyl}-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(benzyloxy)carbonyl]-L-alanine | C31H37N7O5

3-[4-{4-[(1H-Benzimidazol-2-ylamino)methyl]-1-piperidinyl}-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(benzyloxy)carbonyl]-L-alanine

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID23141473

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[4-{4-[(1H-Benzimidazol-2-ylamino)methyl]-1-piperidinyl}-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(benzyloxy)carbonyl]-L-alanin [German] [ACD/IUPAC Name]
3-[4-{4-[(1H-Benzimidazol-2-ylamino)methyl]-1-piperidinyl}-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(benzyloxy)carbonyl]-L-alanine [ACD/IUPAC Name]
3-[4-{4-[(1H-Benzimidazol-2-ylamino)méthyl]-1-pipéridinyl}-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(benzyloxy)carbonyl]-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-[4-[4-[(1H-benzimidazol-2-ylamino)methyl]-1-piperidinyl]-2-oxo-5-propyl-1(2H)-pyrimidinyl]-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
(S)-3-(4-{4-[(1H-Benzoimidazol-2-ylamino)-methyl]-piperidin-1-yl}-2-oxo-5-propyl-2H-pyrimidin-1-yl)-2-benzyloxycarbonylamino-propionic acid
CHEMBL47699

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: 1.673
Molar Refractivity: 160.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.24
Polar Surface Area: 152 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 427.9±7.0 cm3

Click to predict properties on the Chemicalize site


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