4-(3-(7-Chloro-5,11-dihydrodibenz(b,e)(1,4)oxazepin-5-yl)propyl)-alpha,beta-1-piperazineethanol
Basic information
- CAS
28318-18-5- Standard SMILES
OCCN1CCN(CCCN2c3ccccc3COc3ccc(Cl)cc32)CC1- InChIKey
XQXPXVNTJBOLGO-UHFFFAOYSA-N- Molecular formula
- C22H28ClN3O2
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1870048
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 4-(3-(7-Chloro-5,11-dihydrodibenz(b,e)(1,4)oxazepin-5-yl)propyl)-alpha,beta-1-piperazineethanol
- IUPAC
- 2-[4-[3-(2-chloro-6H-benzo[c][1,5]benzoxazepin-11-yl)propyl]piperazin-1-yl]ethanol
Names & synonyms
28318-18-5SQ 112904-(3-(7-Chloro-5,11-dihydrodibenz(b,e)(1,4)oxazepin-5-yl)propyl)-alpha,beta-1-piperazineethanol1-Piperazineethanol, 4-(3-(7-chlorodibenz(b,e)(1,4)oxazepin-5(11H)-ylidene)propyl)-RefChem:97119SQ-1129025F52SBP8TDTXSID409510072-[4-[3-(2-chloro-6H-benzo[c][1,5]benzoxazepin-11-yl)propyl]piperazin-1-yl]ethanolSQ11,290SQ 11,290SQ-11,290
Show more names
1-Piperazineethanol, 4-[3-(7-chlorodibenz[b,e][1,4]oxazepin-5(11H)-yl)propyl]-2-{4-[3-(7-Chlorodibenzo[b,e][1,4]oxazepin-5(11H)-yl)propyl]piperazin-1-yl}ethan-1-ol4-[3-(7-Chlorodibenz[b,e][1,4]oxazepin-5(11H)-yl)propyl]-1-piperazineethanol
Database identifiers
- CAS
28318-18-5- PubChem CID
- 193095
- DTXSID
DTXSID40951007- UNII
- 25F52SBP8T
- Nikkaji
- J394.789K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 475
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Compound notes
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