Basic information
- Standard SMILES
CCCc1nc(-c2ncn3c2COC(=O)c2c(Cl)cccc2-3)no1- InChIKey
MMFCWZDDUIIJPS-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4O3
- Average molar mass
- 344.75 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-3-(5-propyl-1,2,4-oxadiazol-3-yl)-5,6-dihydro-6-oxo-4H-imidazo[1,5-a][4,1]benzoxazepine
- IUPAC
- 7-chloro-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][4,1]benzoxazepin-6-one
Names & synonyms
MMFCWZDDUIIJPS-UHFFFAOYSA-N7-Chloro-3-(5-propyl-1,2,4-oxadiazol-3-yl)-5,6-dihydro-6-oxo-4H-imidazo[1,5-a][4,1]benzoxazepine
Database identifiers
- PubChem CID
- 54079695
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
1 records
Compound notes
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