ChemSpider 2D Image | 3-[({5-[2-(4-Piperidinyl)ethyl]thieno[2,3-b]thiophen-2-yl}carbonyl)amino]-N-(3-pyridinylsulfonyl)-D-alanine | C22H26N4O5S3

3-[({5-[2-(4-Piperidinyl)ethyl]thieno[2,3-b]thiophen-2-yl}carbonyl)amino]-N-(3-pyridinylsulfonyl)-D-alanine

  • Molecular FormulaC22H26N4O5S3
  • Average mass522.661 Da
  • Monoisotopic mass522.106506 Da
  • ChemSpider ID395500

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID
3-[({5-[2-(4-Piperidinyl)ethyl]thieno[2,3-b]thiophen-2-yl}carbonyl)amino]-N-(3-pyridinylsulfonyl)-D-alanin [German] [ACD/IUPAC Name]
3-[({5-[2-(4-Piperidinyl)ethyl]thieno[2,3-b]thiophen-2-yl}carbonyl)amino]-N-(3-pyridinylsulfonyl)-D-alanine [ACD/IUPAC Name]
3-[({5-[2-(4-Pipéridinyl)éthyl]thiéno[2,3-b]thiophén-2-yl}carbonyl)amino]-N-(3-pyridinylsulfonyl)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-[[[5-[2-(4-piperidinyl)ethyl]thieno[2,3-b]thien-2-yl]carbonyl]amino]-N-(3-pyridinylsulfonyl)- [ACD/Index Name]
MERCK L739758

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: 1.640
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 202 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 370.4±3.0 cm3

Click to predict properties on the Chemicalize site


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