Basic information
- Standard SMILES
CC(=O)N[C@@H](C)c1ccc(N2CC(Oc3cccc(N(C)CC(C)(C)O)n3)C2)cc1- InChIKey
DNVWMYWJOFGQLB-INIZCTEOSA-N- Molecular formula
- C23H32N4O3
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- (S)-N-{1-[4-(3-{6-[(2-Hydroxy-2-methyl-propyl)-methyl-amino]-pyridin-2-yloxy}-azetidin-1-yl)-phenyl]ethyl}-acetamide
- IUPAC
- N-[(1S)-1-[4-[3-[[6-[(2-hydroxy-2-methylpropyl)-methylamino]-2-pyridinyl]oxy]azetidin-1-yl]phenyl]ethyl]acetamide
Names & synonyms
SCHEMBL15064974DNVWMYWJOFGQLB-INIZCTEOSA-N(S)-N-{1-[4-(3-{6-[(2-Hydroxy-2-methyl-propyl)-methyl-amino]-pyridin-2-yloxy}-azetidin-1-yl)-phenyl]-ethyl}-acetamide(S)-N-{1-[4-(3-{6-[(2-Hydroxy-2-methyl-propyl)-methyl-amino]-pyridin-2-yloxy}-azetidin-1-yl)-phenyl]ethyl}-acetamide
Database identifiers
- PubChem CID
- 86689028
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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