ChemSpider 2D Image | N-{[4-(~14~C)Methylphenyl]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 | C2414CH34N6O6S

N-{[4-(14C)Methylphenyl]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 FormulaC2414CH34N6O6S
  • Average mass548.632 Da
  • Monoisotopic mass548.229309 Da
  • ChemSpider ID8849535

  • 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-(methyl-14C)phenyl]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-(14C)Methylphenyl]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-(14C)Methylphenyl]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-(14C)Méthylphényl]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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 140.7±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

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