methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate

Ligand id: 6553

Name: methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.97
Molecular weight 302.14
XLogP 4.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
Database Links
ChEMBL Ligand CHEMBL1595992
PubChem CID 2314952
Search Google for chemical match using the InChIKey LVKKWCOINMSBPK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LVKKWCOINMSBPK
Search UniChem for chemical match using the InChIKey LVKKWCOINMSBPK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LVKKWCOINMSBPK
Comments
Factor 12 inhibitor