2-Butanone, 4-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, oxime, monohydrochloride
Basic information
- CAS
34770-59-7- Standard SMILES
C/C(CCC1Cc2c(cccc2[NH+]2CCNCC2)Sc2ccc(Cl)cc21)=N\O.[Cl-]- InChIKey
PJATWGOSGBAAOT-BUWMAIPZSA-N- Molecular formula
- C22H27Cl2N3OS
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.1251891
Names & identifiers
- Preferred name
- 2-Butanone, 4-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, oxime, monohydrochloride
- IUPAC
- (NE)-N-[4-(3-chloro-7-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)butan-2-ylidene]hydroxylamine chloride
Names & synonyms
2-Butanone, 4-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, oxime, monohydrochloride34770-59-7RefChem:10625298-Chloro-10-(4-(3-oximinobutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrochloride4-(4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-2-butanone oxime HCl
Database identifiers
- CAS
34770-59-7- PubChem CID
- 9570540
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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