Basic information
- Standard SMILES
O=C(N1CCN(CCc2ccncc2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21- InChIKey
DQTHPHMEBWNUIY-UHFFFAOYSA-N- Molecular formula
- C25H25ClN4O2
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.1666037
Names & identifiers
- Preferred name
- 8-Chloro-10,11-dihydro-10-[[4-[2-(4-pyridinyl)ethyl]-1-piperazinyl]carbonyl]dibenz[b,f][1,4]oxazepine
- IUPAC
- (3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
Names & synonyms
SCHEMBL9275435DQTHPHMEBWNUIY-UHFFFAOYSA-N8-chloro-10,11-dihydro-10-[[4-[2-(4-pyridinyl)ethyl]-1-piperazinyl]carbonyl]dibenz[b,f][1,4]oxazepine
Database identifiers
- PubChem CID
- 15224926
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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