DHA-clozapine
Basic information
- CAS
225916-82-5- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21- InChIKey
RPSJOJIGGSRDMO-JDPCYWKWSA-N- Molecular formula
- C40H49ClN4O
- Average molar mass
- 637.3 g/mol
- Monoisotopic mass
- 636.3594899
Names & identifiers
- Preferred name
- DHA-clozapine
- IUPAC
- (4Z,7Z,10Z,13Z,16Z,19Z)-1-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]docosa-4,7,10,13,16,19-hexaen-1-one
Names & synonyms
DHA-clozapineDTXSID001027067Q5205000
Database identifiers
- CAS
225916-82-5- PubChem CID
- 9852332
- DTXSID
DTXSID001027067
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
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Related reactions
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Compound notes
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