ChemSpider 2D Image | N-(Benzylsulfonyl)-3-[({3-[(E)-2-(4-piperidinyl)vinyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanine | C24H32N6O5S

N-(Benzylsulfonyl)-3-[({3-[(E)-2-(4-piperidinyl)vinyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanine

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID23177996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alanine, N-[(phenylmethyl)sulfonyl]-3-[[[5,6,7,8-tetrahydro-3-[(E)-2-(4-piperidinyl)ethenyl]-1,2,4-triazolo[4,3-a]pyridin-8-yl]carbonyl]amino]- [ACD/Index Name]
N-(Benzylsulfonyl)-3-[({3-[(E)-2-(4-piperidinyl)vinyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanin [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-[({3-[(E)-2-(4-piperidinyl)vinyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanine [ACD/IUPAC Name]
N-(Benzylsulfonyl)-3-[({3-[(E)-2-(4-pipéridinyl)vinyl]-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanine [French] [ACD/IUPAC Name]
N-(benzylsulfonyl)-3-[({3-[(E)-2-(piperidin-4-yl)ethenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}carbonyl)amino]-L-alanine
2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]-amino}-propionic acid
CHEMBL329871
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL329871/

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: 1.693
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 350.8±7.0 cm3

Click to predict properties on the Chemicalize site


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