Basic information
- Standard SMILES
CC#C[C@H](C)Oc1cc(N)c(Cl)cc1C(=O)NC1C2CCC1CN(Cc1ccccc1)C2- InChIKey
YFMZIYWNJGCILU-BRICXYORSA-N- Molecular formula
- C26H30ClN3O2
- Average molar mass
- 452 g/mol
Names & identifiers
- Preferred name
- (S)-N-(3-Benzyl-3-azabicyclo[3.2.1]oct-8-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide
- IUPAC
- 4-amino-N-(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl)-5-chloro-2-[(2S)-pent-3-yn-2-yl]oxybenzamide
Names & synonyms
SCHEMBL4888712YFMZIYWNJGCILU-BRICXYORSA-N(S)-N-(3-Benzyl-3-azabicyclo[3.2.1 ]oct-8-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide(S)-N-(3-Benzyl-3-azabicyclo[3.2.1]oct-8-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide(S)-N-(3Benzyl-3-azabicyclo[3.2.1]oct-8-yl)-4-amino-5-chloro-2-(1-methyl-2-butynyl)oxybenzamide
Database identifiers
- PubChem CID
- 69230097
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 698
Related reactions
3 records
Linked notes
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