Basic information
- CAS
667909-83-3- Standard SMILES
COc1ccccc1N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1- InChIKey
FDBJJWLKTHHDMT-UHFFFAOYSA-N- Molecular formula
- C24H22ClN3O2
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1400546
Names & identifiers
- Preferred name
- 3-Chloro-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
- IUPAC
- 3-chloro-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
- English name
- 2-[4-(8-chlorodibenzo[b,f][1,4]oxazepin-11-yl)-1-piperazinyl]phenyl methyl ether
- Molecular formula
- C24H22ClN3O2
- Molecular weight
- 419.90338
Names & synonyms
2-[4-(8-chlorodibenzo[b,f][1,4]oxazepin-11-yl)-1-piperazinyl]phenyl methyl ether3-chloro-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[b][1,4]benzoxazepineAQ-360/41402278
Database identifiers
- CAS
667909-83-3- PubChem CID
- 981614
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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