5H-Dibenzo(b,g)(1,4)thiazocine, 6,7-dihydro-5-(3-diethylaminopropyl)-, 12,12-dioxide
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Basic information
- CAS
73927-77-2- Standard SMILES
CCN(CC)CCCN1CCc2ccccc2S(=O)(=O)c2ccccc21- InChIKey
KXLPAYHMHHRMKJ-UHFFFAOYSA-N- Molecular formula
- C21H28N2O2S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18714931
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,g)(1,4)thiazocine, 6,7-dihydro-5-(3-diethylaminopropyl)-, 12,12-dioxide
- IUPAC
- 3-(5,5-dioxo-11,12-dihydrobenzo[b][1,6]benzothiazocin-10-yl)-N,N-diethylpropan-1-amine
- English name
- 6,7-Dihydro-5-[3-(diethylamino)propyl]-5H-dibenzo[b,g][1,4]thiazocine 12,12-dioxide
- Molecular weight
- 0
Names & synonyms
5H-Dibenzo(b,g)(1,4)thiazocine, 6,7-dihydro-5-(3-diethylaminopropyl)-, 12,12-dioxide73927-77-2DTXSID302245506,7-Dihydro-5-(3-diethylaminopropyl)-5H-dibenzo(b,g)(1,4)thiazocineRefChem:305629DTXCID601470415-[3-(Diethylamino)propyl]-6,7-dihydro-12lambda~6~-dibenzo[b,g][1,4]thiazocine-12,12(5H)-dione6,7-Dihydro-5-[3-(diethylamino)propyl]-5H-dibenzo[b,g][1,4]thiazocine 12,12-dioxide
Database identifiers
- CAS
73927-77-2- PubChem CID
- 52745
- DTXSID
DTXSID30224550
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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