Basic information
- Standard SMILES
CCSCCC(=O)NCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21- InChIKey
SWAUETPFLOISCH-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O3S
- Average molar mass
- 404.9 g/mol
Names & identifiers
- Preferred name
- N-[2-(8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-10-yl)-2-oxoethyl]-3-(ethylthio)propanamide
- IUPAC
- N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]-3-ethylsulfanylpropanamide
Names & synonyms
SCHEMBL9191732SWAUETPFLOISCH-UHFFFAOYSA-NN-[2-(8-chloro-10,11-dihydrodibenz[b,f][1,4]oxazepin-10-yl)-2-oxoethyl]-3-(ethylthio)propanamide
Database identifiers
- PubChem CID
- 10692640
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
Related reactions
1 records
Compound notes
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