Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-
Basic information
- CAS
57602-86-5- Standard SMILES
CCN(C)[C@@H]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1- InChIKey
HLPPSQPFFGNHHE-MJGOQNOKSA-N- Molecular formula
- C21H25ClN2S
- Average molar mass
- 373 g/mol
- Monoisotopic mass
- 372.1426977
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-
- IUPAC
- (3R)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine
Names & synonyms
Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-57602-86-5DTXSID302062358-Chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydrodibenzo(b,f)thiepinDibenzo(b,f)thiepin, 8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydro-RefChem:337149DTXCID30128726CHEMBL3273186(3R)-1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-N-ethyl-N-methylpyrrolidin-3-amine
Database identifiers
- CAS
57602-86-5- PubChem CID
- 3033147
- DTXSID
DTXSID30206235- ChEMBL
CHEMBL3273186
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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