Ligand id: 7727

Name: AZ12971554

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 125.6
Molecular weight 457.11
XLogP 2.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. AstraZeneca. 
Accessed on 12/09/2014. Modified on 12/09/2014.,
2. Karlsson S, Branalt J, Halvarsson MO, Bergman J. (2014)
A One-Pot Asymmetric Synthesis of a N ‑ Acylated 4,5- Dihydropyrazole, A Key Intermediate of Thrombin Inhibitor AZD8165.
Organic Process Research and Development, 18: 969-975.