S20

Ligand id: 2773

Name: S20

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 67.43
Molecular weight 380.21
XLogP 6.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
Synonyms
S20 (racemate) | S20 racemic mixture
Comments
This ligand entry does not specifiy stereochemistry and represents the racemic mixture preparation of S20. This compound has also been used experimentally in a (+)-form (represented in our (+)-S20 ligand entry) and a (-)-form (PubChem CID 11610612).
Database Links
GtoPdb PubChem SID 135650964
PubChem CID 56947089
Search Google for chemical match using the InChIKey ONJDWAYKGBYQHM-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey ONJDWAYKGBYQHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ONJDWAYKGBYQHM