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
Database Links
PubChem CID 56947089
Search Google for chemical match using the InChIKey ONJDWAYKGBYQHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ONJDWAYKGBYQHM
Search UniChem for chemical match using the InChIKey ONJDWAYKGBYQHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ONJDWAYKGBYQHM
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).