Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-
Basic information
- CAS
57602-85-4- Standard SMILES
CCN(C)[C@H]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1- InChIKey
HLPPSQPFFGNHHE-HKUYNNGSSA-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-(S)-10-((S)-3'-methylethylaminopyrrolidino)-
- IUPAC
- (3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine
- English name
- (10S)-10,11-Dihydro-8-chloro-10-[(3S)-3-(methylethylamino)pyrrolizino]dibenzo[b,f]thiepin
- Molecular formula
- C21H25ClN2S
- Molecular weight
- 372.95
Names & synonyms
57602-85-48-Chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydrodibenzo(b,f)thiepinDibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-Dibenzo(b,f)thiepin, 8-chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydro-RefChem:337151CHEMBL3273183DTXSID909731781-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-N-ethyl-N-methylpyrrolidin-3-amine(3S)-1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-N-ethyl-N-methylpyrrolidin-3-amine(10S)-10,11-Dihydro-8-chloro-10-[(3S)-3-(methylethylamino)pyrrolizino]dibenzo[b,f]thiepin3-Pyrrolidinamine, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-N-ethyl-N-methyl-, [S-(R*,R*)]- (9CI)
Database identifiers
- CAS
57602-85-4- PubChem CID
- 42481
- DTXSID
DTXSID90973178- ChEMBL
CHEMBL3273183- Nikkaji
- J72.886A
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…