ChemSpider 2D Image | N-{[4-Methyl(2-~3~H)phenyl]sulfonyl}-3-[({4-oxo-5-[2-(4-piperidinyl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}carbonyl)amino]-L-alanine | C25H33TN6O6S

N-{[4-Methyl(2-3H)phenyl]sulfonyl}-3-[({4-oxo-5-[2-(4-piperidinyl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}carbonyl)amino]-L-alanine

  • Molecular FormulaC25H33TN6O6S
  • Average mass548.647 Da
  • Monoisotopic mass548.234253 Da
  • ChemSpider ID9975429

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Alanine, N-[(4-methylphenyl-2-t)sulfonyl]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(4-piperidinyl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]- [ACD/Index Name]
N-{[4-Methyl(2-3H)phenyl]sulfonyl}-3-[({4-oxo-5-[2-(4-piperidinyl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}carbonyl)amino]-L-alanin [German] [ACD/IUPAC Name]
N-{[4-Methyl(2-3H)phenyl]sulfonyl}-3-[({4-oxo-5-[2-(4-piperidinyl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}carbonyl)amino]-L-alanine [ACD/IUPAC Name]
N-{[4-Méthyl(2-3H)phényl]sulfonyl}-3-[({4-oxo-5-[2-(4-pipéridinyl)éthyl]-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl}carbonyl)amino]-L-alanine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability:
Surface Tension:
Molar Volume:

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